smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2F)SC1=S	43730166	LZKSYCZNSFRBLX-RVPWWDOWSA-N	444.553	3.135	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1	408755964	GNEYRPDZIZFSIO-UDWIEESQSA-N	445.435	3.372	10	40	IGCB	
CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=S)NC2=O)cc1	3252401	IKMRJJCQUJQAOP-UHFFFAOYSA-N	446.532	3.488	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCc1ccc(O)cc1	9045138	IVTWVZILTRKKEK-AQTBWJFISA-N	430.526	3.482	10	40	IGCB	
C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	10113632	SAIKDRZECYWDIF-MRXNPFEDSA-N	435.977	3.411	10	40	IGCB	
COc1ccccc1N1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2C(C)(C)C)CC1	13503979	CDYMTLOKDSMJJN-HSZRJFAPSA-N	449.603	3.414	10	40	IGCB	
O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2cc(Cl)ccc2O)CC1	19344517	KNNWPHQPTTYKLK-UHFFFAOYSA-N	431.945	3.358	10	40	IGCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2C)cc1	102129100	PWLHSHQZIWKQGL-OYRHEFFESA-N	448.519	3.470	10	40	IGCB	
CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1	9191971	LLLMUMJXEVJAJM-HVZAKDRGSA-N	438.557	3.164	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCOCC3)C2=O)cc1	13590115	NDWFKLJVNUEOJB-SDXDJHTJSA-N	434.583	3.316	10	40	IGCB	
CCOc1cccc2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)nc12	13730889	RBEZIAUSVSKIAW-QQFZQELXSA-N	446.506	3.153	10	40	IGCB	
CN1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)CC1	19618519	NUMYQWAJZMLMOK-XNTDXEJSSA-N	444.409	3.359	10	40	IGCB	
C[C@H]1CCCN(c2nc(O)c3c(n2)CN(Cc2cc4c5c(c2O)CCCN5CCC4)CC3)C1	72347347	XKTOZRSSKOSNSC-KRWDZBQOSA-N	449.599	3.381	10	40	IGCB	
CCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)OC)cc2Br)SC1=S	409007444	QBIDORCTJJMPQO-MLPAPPSSSA-N	446.344	3.231	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccc(C)c4)n3C)CC2)cc1	3555773	TVRRTJKHXDXBTO-UHFFFAOYSA-N	437.569	3.240	10	40	IGCB	
Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1	9116894	IVYYXOQPKBVCMV-UHFFFAOYSA-N	425.491	3.096	10	40	IGCB	
Cc1cc(N2CCCC2)c(F)cc1CN1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1	12231808	ARMYAJGHIFYUIR-DFBJGRDBSA-N	436.531	3.307	10	40	IGCB	
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1	20502361	LELIYQCCMFEHOH-XLNRJJMWSA-N	436.556	3.093	10	40	IGCB	
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccccc3)c2C)c1	22714327	VHBODTWLDWYOPX-UHFFFAOYSA-N	441.553	3.169	10	40	IGCB	
CC(C)CN1C(=O)/C(=C\c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S	33914505	SVVFDFDHZWWONH-DWKHYPNZSA-N	444.582	3.143	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1	34861804	PGJHSGXOJVSYPD-GZTJUZNOSA-N	430.507	3.259	10	40	IGCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1	408852132	CMAJVAQVQFIFAX-RMKNXTFCSA-N	438.248	3.439	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1cn(CCOc2ccccc2Cl)c2ccccc12	6475177	OWFVVRSCNRZJQC-UHFFFAOYSA-N	425.897	3.288	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@]45[C@H]6O[C@]6(C)CC[C@@H]4[C@@H](C)CC[C@H]35)CC2)cc1	103545749	BALNINAJAHCEHC-GJQKEAOPSA-N	440.584	3.343	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)cc(OC)c1OC	13788000	HFENCWQXBHYUMM-YBEGLDIGSA-N	448.497	3.398	10	40	IGCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC	33530597	ABNHLRSYHUVYGT-YBEGLDIGSA-N	444.871	3.142	10	40	IGCB	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCC2)N2CCc3ccccc3C2)cc1	36683761	DYNCZOJCSJEIKF-XMMPIXPASA-N	434.584	3.027	10	40	IGCB	
COc1ccc(Oc2c(C(F)(F)F)oc3c(CNCCO)c(O)ccc3c2=O)cc1	57312269	NCQBWHHZYLDKPQ-UHFFFAOYSA-N	425.359	3.400	10	40	IGCB	
CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1	224330859	OEXWLSBGCFVXJG-KGLIPLIRSA-N	437.591	3.162	10	40	IGCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C1=O	409045215	FXUJSGFZUCGSPE-KPKJPENVSA-N	449.246	3.432	10	40	IGCB	
CN1CCN(c2cc(NCc3ccccc3)c3c(c2N)C(=O)c2ccccc2C3=O)CC1	9059797	QBTAEXNQNWPMFU-UHFFFAOYSA-N	426.520	3.408	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(OC)c1O	9188735	SJXLIHQQHWDBAQ-YBEGLDIGSA-N	430.507	3.264	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1cccc(OC)c1OC	18222872	AJUATOOKNBPPJA-KGENOOAVSA-N	439.468	3.364	10	40	IGCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1	103109831	MHRGYAIQVKTNNL-QGOAFFKASA-N	431.452	3.212	10	40	IGCB	
O=C(O)CCN1C(=O)/C(=C/c2cc3cc4c(cc3nc2Cl)OCCO4)SC1=S	256055476	IEKMFVCKFVWIHN-AUWJEWJLSA-N	436.898	3.335	10	40	IGCB	
CCOC(=O)c1ccc(N(CC[C@@H](O)CN=[N+]=[N-])S(=O)(=O)c2ccc(C)cc2)cc1	4946208	MITIBUKUMOZQOO-GOSISDBHSA-N	432.502	3.428	10	40	IGCB	
CCN(CC)c1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1	20207016	OCRGZRREQAVMBD-XGMUFTHNSA-N	447.586	3.180	10	40	IGCB	
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O	408527892	AHCSPHZXOIASHF-OMSYBASJSA-N	447.285	3.025	10	40	IGCB	
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncc(-c3ccccc3)n2C)C1=O	19355901	BWGRIPIVEQSFHF-QHCPKHFHSA-N	449.536	3.068	10	40	IGCB	
COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c1O	408742931	UEKKRZHEZNKZHH-LCYFTJDESA-N	447.310	3.303	10	40	IGCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)c1	409099098	RZROAIVBWLUNEM-KGENOOAVSA-N	435.549	3.280	10	40	IGCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1	103918154	VGZQLUJELLPOQQ-QNGOZBTKSA-N	444.532	3.082	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C\C=C\c2ccc(Br)c([N+](=O)[O-])c2)SC1=S	16384233	RBEISUOGRNXCTJ-BBOZHSEUSA-N	429.273	3.199	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1	44885972	ZIIQAJBFRDFQHB-UHFFFAOYSA-N	433.599	3.065	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1I	408550333	GBVFSDKOSMCDNR-PKNBQFBNSA-N	436.180	3.097	10	40	IGCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Cc1ccccc1Br	408873539	VRPVPAZPLCOBRG-UHFFFAOYSA-N	445.338	3.353	10	40	IGCB	
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O	409104493	JCPRUIMGALCPKR-XDHOZWIPSA-N	441.940	3.316	10	40	IGCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(Br)c2)C1=O	409238288	WRQSKTBDMBBLLV-FMIVXFBMSA-N	431.242	3.220	10	40	IGCB	
O=C1N/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1	9265246	VYMBGNJTINGMSE-MHWRWJLKSA-N	428.832	3.182	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccc(OC)cc1	17101396	FKZHHVWAJPITTB-KQWNVCNZSA-N	437.496	3.076	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNC[C@@]3(C)C[C@H](O)CC(C)(C)C3)C2=O)c(C)c1	2049286345	PDEHXAAANCOGQN-OSPHWJPCSA-N	427.545	3.245	10	40	IGCB	
Cc1cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1-c1ccc2c(c1)OCO2	8685238	GOAPWXAJQZZILI-UHFFFAOYSA-N	437.408	3.353	10	40	IGCB	
COc1cc(/C=C2/C(=O)N(CCc3ccc(F)cc3)C(=O)N=C2O)cc(OC)c1OC	13773645	MNYZKJGKZDDMDZ-MHWRWJLKSA-N	428.416	3.396	10	40	IGCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=N)N21	41077898	JMEYNVNFIVZOQM-GHZHVEGCSA-N	434.886	3.221	10	40	IGCB	
O=C1/C(=C\c2ccccc2F)SC(=S)N1CCC(=O)N(CCO)c1ccccc1	8819278	ZWXOJOMVATXTCD-NBVRZTHBSA-N	430.526	3.443	10	40	IGCB	
CCN1C(=O)NC(=O)/C(=C/c2cn(CCOc3ccccc3OC)c3ccccc23)C1=O	9805604	KDBKZTYNTTWZHJ-JXAWBTAJSA-N	433.464	3.211	10	40	IGCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1	17095892	WXOFNADLYWZTME-UHFFFAOYSA-N	428.514	3.057	10	40	IGCB	
COc1ccc(N2CCN([C@H](CNC(=O)c3ccc4c(c3)OCO4)c3ccco3)CC2)cc1	56946263	OSLCDANVRRUXPZ-OAQYLSRUSA-N	449.507	3.310	10	40	IGCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C	223643334	UNSXHPYGDHXYHT-VXKWHMMOSA-N	435.553	3.420	10	40	IGCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1Br	408889718	GCJPYYHPWKSGNX-UHFFFAOYSA-N	445.269	3.176	10	40	IGCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1	409193800	MPPIGBRSGOTFMM-LDADJPATSA-N	435.436	3.146	10	40	IGCB	
CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1	8964074	FBKYKCUCCBPHRK-QFIPXVFZSA-N	438.597	3.293	10	40	IGCB	
CCN(CC)c1ccc(/C=C2\C(=O)N(CC(=O)OC)C(=O)N(Cc3ccccc3)C2=O)cc1	9309409	XGGDATYHIISDJV-QNGOZBTKSA-N	449.507	3.080	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CCCCCn3cnc4ccccc4c3=O)CC2)cc1	32105387	QTQLCZLGSCDXDL-UHFFFAOYSA-N	434.540	3.314	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@@H](CO)Cc1ccccc1	33544029	OGGADJMKDNAVSK-YCPFAOKUSA-N	446.981	3.261	10	40	IGCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C	41077678	TYWZKBLNPXAJBZ-SRRKIXIOSA-N	441.538	3.024	10	40	IGCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	409074878	NOZOWHSAVLCZLC-CIAFOILYSA-N	432.455	3.425	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCC3)ccc21	9135647	SSLNSTLBLJSGNY-QHCPKHFHSA-N	426.605	3.161	10	40	IGCB	
Cc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1	96018668	GDUJRQYDVYQKRX-WQRHYEAKSA-N	426.519	3.355	10	40	IGCB	
COC(=O)C[C@@H](c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12)c1ccnn1C	96221269	NHQOFFCYTVQNJM-CYBMUJFWSA-N	436.420	3.005	10	40	IGCB	biogenic
O=C1N=C(S)N(c2ccccc2F)C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1	102508610	QJJDCBWPTGITFV-JXAWBTAJSA-N	438.528	3.123	10	40	IGCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2I)C(=O)NC1=S	408550301	FRRZWGHOZHSPNZ-JLHYYAGUSA-N	448.285	3.431	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(N)=O	409203715	YLBQOEYJNQMREW-WOJGMQOQSA-N	444.534	3.364	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccc(F)cc1	17094399	NQSMVETXORYMGO-JCMHNJIXSA-N	425.460	3.206	10	40	IGCB	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S	54360922	ACPBFURBTDCBJT-OEMOTLHWSA-N	436.898	3.407	10	40	IGCB	
CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	408799312	KGHWRFWNENAWJF-XNTDXEJSSA-N	431.242	3.220	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(OC)c1OC	409242002	PPOISILZENDIBW-OQLLNIDSSA-N	426.494	3.161	10	40	IGCB	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C)c2)c(Br)c1	12526097	OTIQJNPTRBNHOR-UHFFFAOYSA-N	433.349	3.238	10	40	IGCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc2c(c1)C(=O)NC2=O	16160801	GGQWQJQCGZUIEW-SXGWCWSVSA-N	425.242	3.051	10	40	IGCB	
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)S1	408532364	UMCMRPVKGUQDKG-YVLHZVERSA-N	429.885	3.464	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCC3)ccc21	9135601	QQTLLSHDQDMUSS-JOCHJYFZSA-N	442.510	3.239	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NCCC1CCN(Cc2ccccc2)CC1	20622914	XZRZRLRQIVPOIR-XLNRJJMWSA-N	432.524	3.045	10	40	IGCB	
CC(C)CCN1C(=O)/C(=C/N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC1=S	30819353	CITDIKQDXALSGG-UYRXBGFRSA-N	433.599	3.281	10	40	IGCB	
COc1ccc(N2CCN(C[C@H](O)COCCOc3ccc(C(C)C)cc3)CC2)cc1	54176455	DPDZYZNYXBBMJY-QHCPKHFHSA-N	428.573	3.397	10	40	IGCB	
C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCCCC4)cc2)CC3)C[C@@H](C)O1	72347291	HUHBLGCBPSQADE-RTBURBONSA-N	437.588	3.344	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(C)c3)C(=O)NC2=S)c(C)c1	409139549	BIABYYWZKPUMRR-XMHGGMMESA-N	435.549	3.280	10	40	IGCB	
Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1	10113641	VTGNTAYLJFSMRH-LJQANCHMSA-N	429.586	3.375	10	40	IGCB	
Cc1sc2ncn(CC3(O)CCN(Cc4ccc(N(C)C)cc4)CC3)c(=O)c2c1C	19561541	IQTLYASZOLWIOX-UHFFFAOYSA-N	426.586	3.168	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1cccc2c1C(=O)[C@H]1C=CC=C[C@H]1C2=O	101125277	CHYKUBGUDZTITC-POYVLVGLSA-N	439.427	3.003	10	40	IGCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c1	408691976	AGIPCQGWYZRXBI-DEDYPNTBSA-N	435.480	3.285	10	40	IGCB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C	409394186	WWIJNNYDWKTXJL-XDHOZWIPSA-N	444.447	3.162	10	40	IGCB	
CCOC(=O)N1CCN(c2cc(NC(C)C)c3c(c2N)C(=O)c2ccccc2C3=O)CC1	9129557	GSQSSMBRTSZHJQ-UHFFFAOYSA-N	436.512	3.143	10	40	IGCB	
Cc1cc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1ccccc1	25395630	LDMLEHQHLXAYRS-HOJAQTOUSA-N	434.492	3.160	10	40	IGCB	
COC(=O)C1=CN(c2cc(Cl)c(OC)cc2OC)c2ccc(F)cc2S1(=O)=O	64979257	HDDMSMNLRXCZKM-UHFFFAOYSA-N	427.837	3.436	10	40	IGCB	
O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	409041945	LJFKZJHVTJONSM-VGOFMYFVSA-N	435.219	3.123	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1	9468932	VXKWKAJYYZCKOJ-OAQYLSRUSA-N	436.556	3.426	10	40	IGCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C	20206088	HLJNBSAKRFPSII-SRRKIXIOSA-N	441.538	3.024	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)c2C)cc1	22525181	ZEURDQQLJNCRGF-HNNXBMFYSA-N	442.512	3.157	10	40	IGCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C	408531627	KYMXSXLLUIJSKJ-JXAWBTAJSA-N	448.502	3.335	10	40	IGCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)C2=O)cc1	409057051	OPTKNMDNTYQLEM-NTUHNPAUSA-N	449.246	3.455	10	40	IGCB	
COc1ccc(N2CCC(O)(CN3CCC(O)(COc4ccccc4F)CC3)CC2)cc1	585282076	GVNFRFJINJRKIY-UHFFFAOYSA-N	444.547	3.072	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C(=O)O	10038280	XOURMMWJMFUYIV-OQLLNIDSSA-N	428.828	3.412	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	33538838	CTDDCMQIYIVAJZ-VIZOYTHASA-N	432.454	3.069	10	40	IGCB	
CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc(N3CCCCC3)cc1)CC2	257214990	COEYEVDNWKLBGX-OAQYLSRUSA-N	448.615	3.403	10	40	IGCB	
C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(N4CCCC4)c(F)c2)C3)C1	12117815	AIEXUTVDTPHYBF-KRWDZBQOSA-N	425.552	3.304	10	40	IGCB	
CC(C)(C)SCCN/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	19595344	SCMJJPIFQPUJHZ-JLHYYAGUSA-N	426.336	3.037	10	40	IGCB	
O=C(CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)NCCc1ccc(O)c(O)c1	33539548	CIFZCUKFCIAMBW-YVLHZVERSA-N	432.885	3.146	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1O	408779235	SOYYVKQGLRMMBB-KPKJPENVSA-N	446.843	3.128	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	409076449	BDZJWSFESNCEMD-UHFFFAOYSA-N	437.355	3.320	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)cc1	2091748	UNYJANFBGVUIQP-MQBMDEIXSA-N	440.584	3.102	10	40	IGCB	biogenic
COc1ccc(N2CCN([C@@H](c3ccccc3OC)c3nnnn3C(C)(C)C)CC2)cc1	13504006	XCSVAHGEDNGRHE-QFIPXVFZSA-N	436.560	3.357	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2ccccc2Br)c2ccc(N(C)C)cc2)CC1	23080560	PZMZCDTWRKFNGM-OAQYLSRUSA-N	445.405	3.234	10	40	IGCB	
COCCN(CCOC)Cc1c(O)ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc12	41584391	AZHYFZJBZMJYAY-UHFFFAOYSA-N	443.496	3.278	10	40	IGCB	biogenic
CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1	225129028	BTNGZBRACKSJED-UHFFFAOYSA-N	435.615	3.311	10	40	IGCB	
COc1ccc2[nH]cc(/C=C3\SC(=S)N(NC(=O)c4ccc(O)cc4)C3=O)c2c1	13688005	DBODITHHKCCKHV-IUXPMGMMSA-N	425.491	3.428	10	40	IGCB	
CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4O)nn3c(O)c2C1	100233978	ZMXHIQSVNRIFIB-HXUWFJFHSA-N	435.528	3.162	10	40	IGCB	
CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1	102942252	YJSUCHPDXXJAHQ-FTGFMQHASA-N	441.831	3.264	10	40	IGCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C(=O)O	223579081	LEVFJKSSCCJWME-RTWAWAEBSA-N	436.537	3.152	10	40	IGCB	
Cc1ccc(N2NC(=O)/C(=C/c3ccc(OCC(=O)N4CCCCC4)cc3)C2=O)cc1C	9354880	RKQNIUSOBPUMBJ-JCMHNJIXSA-N	433.508	3.156	10	40	IGCB	
NC(=O)c1cc(C2=Nn3c(nc4scc(-c5ccccc5)c4c3=O)SC2)ccc1O	12777445	RVLCOBXXYYOLQG-UHFFFAOYSA-N	434.502	3.288	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OC	17094867	GWYCMJBNFVELQW-DHDCSXOGSA-N	426.494	3.161	10	40	IGCB	
CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21	408806695	BKXONASPTSWCSW-CPNJWEJPSA-N	447.516	3.344	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(OCC)c1	409169332	XNBAWWRPXCOJDL-FOWTUZBSSA-N	426.494	3.324	10	40	IGCB	
Cc1cccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1	409270440	GBJWJKHHCBZVOY-UHFFFAOYSA-N	448.262	3.069	10	40	IGCB	
CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O	2264967	QFIRZJDKUBLMCG-PEZBUJJGSA-N	446.598	3.169	10	40	IGCB	
Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1	13647145	CJUDCXPXRABIST-CJHWLFRYSA-N	428.583	3.316	10	40	IGCB	
CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1	22418619	OVDMWXCMWQYSMN-JOCHJYFZSA-N	425.577	3.262	10	40	IGCB	
O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1CCN1CCOCC1	96930775	XDFDWLYSFGVZQD-GXDHUFHOSA-N	431.352	3.122	10	40	IGCB	
CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Br	409021837	BHHBKEVLTZMGAA-ZSOIEALJSA-N	448.317	3.486	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(N)=O	9188368	ZSFHGLCBJOSNSC-WQRHYEAKSA-N	443.550	3.031	10	40	IGCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(F)c(F)c1	13670203	VQSOOGBPRGJUCD-UHFFFAOYSA-N	437.512	3.038	10	40	IGCB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)cc21	408526952	CWEMGSRWBJYVHB-FRKPEAEDSA-N	444.469	3.330	10	40	IGCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1	9310864	AZNXURWUPAMTEA-XDHOZWIPSA-N	445.431	3.485	10	40	IGCB	
CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccc(OC)cc2)CC1	13504885	CQJBLWYXTBRFLV-QHCPKHFHSA-N	436.560	3.402	10	40	IGCB	
CC(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCN4Cc4ccccc4O)nn3c2O)C1	100234373	YSOQBTBONGZXIY-HXUWFJFHSA-N	435.528	3.018	10	40	IGCB	
CN(C)c1ccc(CN(C(=O)COc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1	4030265	BFTHUBCOHBRKOF-SFHVURJKSA-N	436.961	3.001	10	40	IGCB	
C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O	220484184	VZHFIMWBGIMWOZ-QGZVFWFLSA-N	433.549	3.287	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(OCC)c1	409195781	VZCDEPMRZPHARG-GZTJUZNOSA-N	440.477	3.014	10	40	IGCB	
C[C@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2F)SC1=S	9302963	LZKSYCZNSFRBLX-ZFGCAWLISA-N	444.553	3.135	10	40	IGCB	
Cc1cc(C(=O)COC(=O)CCCNC(N)=O)c(C)n1-c1cccc(C(F)(F)F)c1	9511981	ISULFVSKICMTQJ-UHFFFAOYSA-N	425.407	3.287	10	40	IGCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)cc1	34859784	ADJYBKUSOUZSMP-JCMHNJIXSA-N	427.460	3.474	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Cl)cc1OC	408949483	IDXQQORSUOIOSF-AWNIVKPZSA-N	444.827	3.142	10	40	IGCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(I)o3)C2=O)cc1	4471705	IMDIZRLJAPTWRA-LCYFTJDESA-N	436.205	3.113	10	40	IGCB	
CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1	8964094	XCXIZVHPBJVCHO-NRFANRHFSA-N	438.597	3.293	10	40	IGCB	
O[C@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Br)cc2)C2=[N+]1CCCS2	9369197	NHWSTUXNALXGNK-FQEVSTJZSA-N	448.362	3.391	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(I)cc1	12555291	LIAJHDCTFRIXEP-UHFFFAOYSA-N	436.293	3.400	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)N2CCCC[C@H]2C(=O)O)C1=O	13576180	CSTRTHXJMQDGFF-SUCHYCSPSA-N	448.566	3.142	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(OC)c1OC	22062972	APZUGYVMYMHVCI-NTEUORMPSA-N	432.885	3.197	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C(=O)NC2=S)c1	409189034	HMWYNRUIEVIRQA-QCUKBLKESA-N	433.489	3.427	10	40	IGCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCC(=O)Nc1ccccc1	408527595	AZHCWGXVOMXBSU-UNOMPAQXSA-N	439.493	3.209	10	40	IGCB	
CCOC(=O)CCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	11641959	NHASEEQTHFFQFM-GOSISDBHSA-N	431.558	3.281	10	40	IGCB	
CC1=NN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(=O)[C@@H]1/N=N\c1ccccc1C(=O)O	104280354	FVXHANQYPFMYAF-MSVBSMQLSA-N	429.776	3.457	10	40	IGCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(Br)ccc1OC	408796421	YBKDMDANHDFSBX-HEUOVEHFSA-N	436.302	3.309	10	40	IGCB	
O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	409043479	QZZQGDJXNFGNKU-XYOKQWHBSA-N	435.219	3.123	10	40	IGCB	
CCc1cc(=O)oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)c(Cl)cc12	524729521	XCWVAJZSIFBNNM-HIFRSBDPSA-N	426.900	3.495	10	40	IGCB	biogenic
CCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S	9427917	DOFJGKPNXGYWPQ-RSCROXIHSA-N	428.583	3.398	10	40	IGCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1	408893290	LWRWRLCPRUEBJJ-WQRHYEAKSA-N	438.436	3.485	10	40	IGCB	
COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12	8918235	JBMCOTJEJYLIDL-LMKMVOKYSA-N	437.492	3.487	10	40	IGCB	biogenic
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ncc(-c3ccccc3)n1C)n2CC	12531886	NDZGCKQGQIUHJT-UHFFFAOYSA-N	438.557	3.399	10	40	IGCB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1C	12949851	DKBCHPHGKMWHFW-UHFFFAOYSA-N	433.895	3.037	10	40	IGCB	
CN(C)c1ccc([C@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1	13638281	FIRLPZSJMZVNJC-QFIPXVFZSA-N	427.512	3.439	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2cccc3nonc23)C1=O	33544462	FEAYYPUEQIJKPA-DHDCSXOGSA-N	426.479	3.071	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C(=O)NC2=S)cc1	409188197	BPCPLIFISGFVQV-RNEAKCBISA-N	449.488	3.127	10	40	IGCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O	409245306	QQPLTGKLNGCNDK-NBVRZTHBSA-N	446.419	3.451	10	40	IGCB	
COc1ccc(OCCn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)cc1	2315652	BQQPUTWKHVZEPR-UHFFFAOYSA-N	433.464	3.163	10	40	IGCB	
Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(C)c1	8964167	DEALPJQLLCGPRX-QHCPKHFHSA-N	434.584	3.496	10	40	IGCB	
Cc1cc(C(=O)COC(=O)c2ccc(OCC(N)=O)cc2)c(C)n1-c1ccc2c(c1)CCC2	9112157	DUKNCKACBVQBQI-UHFFFAOYSA-N	446.503	3.487	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1c[nH]c2ccc(F)cc12	9348859	FOBKGBQXNTZASU-RQZCQDPDSA-N	429.498	3.460	10	40	IGCB	
Cn1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnc1C(F)(F)F	9544290	GXQHBJXSMVLDCZ-UHFFFAOYSA-N	446.410	3.340	10	40	IGCB	
COc1c(Br)cc(Br)cc1/C=C1/SC(NC(C)=O)=NC1=O	9763106	HIURNGDBDWSFRM-ONNFQVAWSA-N	434.109	3.327	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1C(=O)O	13575712	REEGHKRORKFDGZ-VIZOYTHASA-N	432.454	3.069	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nc(C)cs3)C2=O)cc1OC	27530630	OQNWUNVNMHAAEZ-VGOFMYFVSA-N	435.552	3.309	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)ccc1O	38206614	UZGLQAXCGNVWAY-PDGQHHTCSA-N	437.448	3.455	10	40	IGCB	
C[C@@H]1CCCN(c2nc(O)c3c(n2)CN(Cc2cc4c5c(c2O)CCCN5CCC4)CC3)C1	72347346	XKTOZRSSKOSNSC-QGZVFWFLSA-N	449.599	3.381	10	40	IGCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OCC	96193323	RVWNHZNENJQLBK-UYRXBGFRSA-N	443.525	3.328	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C\c3cc4c(cc3Br)OCO4)C(=O)NC2=S)cc1	4471928	GBTMPTJTDQQPAK-MLPAPPSSSA-N	445.294	3.318	10	40	IGCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1OCC	409209345	DSGVPZPRNLMBDN-MHWRWJLKSA-N	438.436	3.269	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)c1C	9850208	OSNNQSBIFFVNPX-CPNJWEJPSA-N	429.432	3.459	10	40	IGCB	
COc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1	10113152	GJWCEPXBKNJITJ-SFHVURJKSA-N	445.585	3.156	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c(OC)c1OC	35040694	BNCBEUNIAXZIOL-FOWTUZBSSA-N	444.534	3.188	10	40	IGCB	
Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c(C)c1C	72312977	JSFXNILSIZJMCI-UHFFFAOYSA-N	436.599	3.264	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	104090819	FUEQWUQEKJEBIC-KRXRYSOXSA-N	449.496	3.461	10	40	IGCB	
COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O	408551570	NRMVOBKQZJEEEH-CPNJWEJPSA-N	429.542	3.344	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1	408758010	UJUWCJLEGANOFQ-BKUYFWCQSA-N	430.464	3.473	10	40	IGCB	
O=C(Cn1cc(/C=C2/SC(=S)NC2=O)c2ccccc21)Nc1ccc2c(c1)OCO2	409349199	VJOVTBGSOZYEAO-CNHKJKLMSA-N	437.502	3.498	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C\c2ccccc2F)SC1=S	33545742	AJWXVVNQISUCNI-LYQMGENXSA-N	446.481	3.458	10	40	IGCB	
O=C1C[C@H](c2cccc(O)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96222442	WKMLSBTXQLSSEX-CYBMUJFWSA-N	448.383	3.429	10	40	IGCB	biogenic
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c(O)c1	408894351	CEQYMLDJIVVEAF-ZSOIEALJSA-N	431.242	3.138	10	40	IGCB	
Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5C[C@@H]6CC[C@H](C5)N6)ccc4C3)sc2n1	1965906116	UZKKSCQGVUDMFY-GBESFXJTSA-N	447.608	3.415	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCCC3)ccc21	9138278	KCCWKPVBAJHMLG-HSZRJFAPSA-N	438.547	3.490	10	40	IGCB	
O=C(CCS(=O)(=O)Cc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	10620483	QGJKEYRHKFCEIA-UHFFFAOYSA-N	433.485	3.406	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	33527110	DJGKZPGBVUPMFL-SXGWCWSVSA-N	446.481	3.460	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(O)c1	1237756	ZJABWDKVJPBCIH-MFOYZWKCSA-N	428.491	3.351	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(OC)ccc1OC	9191939	FJSWIJCXTYDYFI-BKUYFWCQSA-N	427.432	3.495	10	40	IGCB	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)c2C)cc1	9899540	HSVDNUAXBDQPPM-UHFFFAOYSA-N	441.553	3.283	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O	12382981	VHJQUCGLPAEXDL-OVCLIPMQSA-N	425.397	3.099	10	40	IGCB	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	22523516	DUDMFCOUDVIZIL-IBGZPJMESA-N	447.626	3.456	10	40	IGCB	
COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1	22733310	CYOMVSWYJFVSKM-OAQYLSRUSA-N	429.948	3.144	10	40	IGCB	
COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	22733650	AMDVJZQHVIMPNI-JOCHJYFZSA-N	442.991	3.059	10	40	IGCB	
CN(C)c1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1Br	41084953	GKKLPGWNLWGFAV-HBDSZSESSA-N	447.362	3.188	10	40	IGCB	
CCc1ccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(Br)c1	217009909	FCPFETUKFKFFCJ-UHFFFAOYSA-N	446.389	3.459	10	40	IGCB	
COC(=O)c1cc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)ccc1Cl	225776741	BKAURJJVPOVTBJ-UHFFFAOYSA-N	432.977	3.365	10	40	IGCB	
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1	409178317	KORZWSYJCWDOHF-ATVHPVEESA-N	442.518	3.175	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C(O)=NC2=S)cc1	2594491	WXTNXATVJGBGSQ-UEMWTREESA-N	426.450	3.219	10	40	IGCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nnc2n1	23633576	MYTSXYNMJRRYPK-UHFFFAOYSA-N	441.348	3.421	10	40	IGCB	
COc1ccc(N2CCN(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1	32843827	NOAQCMLICWSSCR-UHFFFAOYSA-N	436.556	3.353	10	40	IGCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	408854271	BHPWBNSUKIIEFT-NTUHNPAUSA-N	449.232	3.272	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Cc1ccccc1F	408884630	VCUYMJVXYZKJOG-UHFFFAOYSA-N	449.301	3.102	10	40	IGCB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OC	408903395	SPXINHDXPJZXAG-GXDHUFHOSA-N	431.242	3.133	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCCC3)ccc21	13008012	UVNNIPFYESNZFW-JOCHJYFZSA-N	442.510	3.239	10	40	IGCB	
CCOc1cc2c(cc1/C=C1\SC(=S)N(CCCN3CCOCC3)C1=O)O[C@@H](C)C2	14197174	CHKBWGAKHFKWTP-CPOQMQJTSA-N	448.610	3.332	10	40	IGCB	
COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3Cc3ccco3)CC2)cc1	13505052	SDXWKIBNRYEYPB-HSZRJFAPSA-N	448.502	3.374	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1OC	13713992	OOAQGBDDFCLJRP-GDNBJRDFSA-N	445.478	3.158	10	40	IGCB	
CSc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(O)n1	17021142	KPYAVRQTZSHBFX-WCWDXBQESA-N	446.518	3.109	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)cc1	409088255	KPSWINQPGMHRJC-BGARDKSCSA-N	442.493	3.479	10	40	IGCB	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S	9348103	GVYUNLRDVXDMNJ-MBNTZHJCSA-N	446.525	3.186	10	40	IGCB	
COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccc(Cl)cc2Cl)c1	408872595	GYDDUZMSGXIDIT-UHFFFAOYSA-N	437.304	3.495	10	40	IGCB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C1\CCn2c1nc1sc(C)c(C)c1c2=O	8966308	NTFWKLGBGYVWLG-HTRKUNOGSA-N	444.582	3.192	10	40	IGCB	
O=C(NC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCO2	32127298	RJOTYUIKTGHMEK-UHFFFAOYSA-N	430.441	3.318	10	40	IGCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C(=O)O	223579183	LEVFJKSSCCJWME-SFTDATJTSA-N	436.537	3.152	10	40	IGCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C(=O)O)cc1	223579568	USTSDYZFNMONKL-RTWAWAEBSA-N	436.537	3.152	10	40	IGCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1	409148467	ZJCMOUBCMKGGIX-LFIBNONCSA-N	445.903	3.147	10	40	IGCB	
CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	9216172	VSHAXDGQWXAVKD-ODLFYWEKSA-N	449.557	3.388	10	40	IGCB	
CCS(=O)(=O)Nc1cc(Br)c(O)c(Br)c1Br	35686179	WICGOANWQUGIPH-UHFFFAOYSA-N	437.935	3.441	10	40	IGCB	
COC(=O)CCCN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)SC1=S	96935926	QBSMYIGDKYDYFE-MLPAPPSSSA-N	444.328	3.332	10	40	IGCB	
C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	9348346	WLGMICKLCKTWOF-FDIDITGRSA-N	430.526	3.480	10	40	IGCB	
O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	6444976	AADFPGDAPCFCEB-NNMXDRDESA-N	441.509	3.442	10	40	IGCB	
O=C(CN1CCN(C2CCCCC2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	19875082	YRLGCHFDBKFRSS-UHFFFAOYSA-N	431.536	3.351	10	40	IGCB	
CCOc1ccccc1NC(=O)CSc1nnc2nc(NC(C)C)nc(NC(C)C)n12	27300314	QFPOSRQCYVCLFM-UHFFFAOYSA-N	444.565	3.289	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1	408952155	KNWRUIFAYDGHPM-RCCKNPSSSA-N	446.532	3.383	10	40	IGCB	
Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)n1-c1ccccc1	12553947	TWZRLJOQDZDYOU-UHFFFAOYSA-N	437.565	3.382	10	40	IGCB	
N#CCOc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	33621589	CFOPLGOKTXFSNV-ZROIWOOFSA-N	432.661	3.466	10	40	IGCB	
Nc1c(C(=O)OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)sc2ncccc12	96012705	PMCWPPKBHFUHLE-HNNXBMFYSA-N	439.493	3.170	10	40	IGCB	
COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C(=O)O)c1	107937336	NJDJVFIDDLNXEY-ZHZULCJRSA-N	444.443	3.434	10	40	IGCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)CC2)cc1	225706464	TXRQRKFKJLYGFI-UHFFFAOYSA-N	447.582	3.163	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@@H](CO)Cc1ccccc1	9347895	OGGADJMKDNAVSK-CJMVGXJBSA-N	446.981	3.261	10	40	IGCB	
Cc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	9872568	SSDNNRWKRRFHRD-MRXNPFEDSA-N	432.571	3.456	10	40	IGCB	
CCOC(=O)c1c(NC(=O)C[C@@H](NCCc2ccccc2)C(=O)O)sc2c1CCCC2	10434193	JBFAWVSYBFPUFE-QGZVFWFLSA-N	444.553	3.418	10	40	IGCB	
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1-c1ccc(C(C)C)cc1	12563844	LXPPRGWSLVAVJN-UHFFFAOYSA-N	436.468	3.269	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)O)c4ccccc34)C(O)=NC2=S)cc1	20266741	PLZLDMPGHCIAIT-YVLHZVERSA-N	435.461	3.406	10	40	IGCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])C(=O)NC1=S	408741267	LBIOICGHTZDSBK-UKTHLTGXSA-N	446.282	3.497	10	40	IGCB	
CC(C)(C)NC(=O)CN1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1	12610293	YEFDQWPVLOAOTO-JLHYYAGUSA-N	426.605	3.139	10	40	IGCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br	408913784	NSXRVZAVNBGVCL-AWNIVKPZSA-N	449.232	3.272	10	40	IGCB	
CNc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2	9937763	CJYRERDBXGHRLP-INIZCTEOSA-N	433.512	3.359	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1N1CCOCC1	409125348	NDBZRKXGBKXIAO-XMHGGMMESA-N	435.549	3.280	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1C	409186725	HACZOCOYMKKDNL-UDWIEESQSA-N	436.464	3.300	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(=O)O	9189391	CCDVDNXWSGRUMK-GDNBJRDFSA-N	439.511	3.005	10	40	IGCB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)O)c1	33489202	MPYYKYLGUZSARU-DEDYPNTBSA-N	444.443	3.434	10	40	IGCB	
C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1	223342575	RGAMQXUBNXQSOT-IBGZPJMESA-N	429.586	3.316	10	40	IGCB	
C[C@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)O	2261660	MEVWASZAEAZSCU-RCEBRVLHSA-N	430.869	3.023	10	40	IGCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(NCCCOC)nc3ccc(C)cn3c2=O)SC1=S	16805831	YDKFGRRZGISLGR-HNDQUVLASA-N	446.598	3.451	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cc(=O)[nH]c4ccccc34)C2=O)cc1	28628982	NUIJJQJTCJEAAW-YVLHZVERSA-N	437.502	3.083	10	40	IGCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(O)c1	408896756	HVDNQXWKZUPQHD-ZSOIEALJSA-N	431.242	3.138	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F	408915573	YCDNBRFBGQIKGK-NTUHNPAUSA-N	436.306	3.252	10	40	IGCB	
CCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S	2254091	VTVMIUBRQDHRAQ-VBKFSLOCSA-N	446.598	3.451	10	40	IGCB	
COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1	38636103	XCOOCISZXBVLEG-QHCPKHFHSA-N	431.602	3.060	10	40	IGCB	
Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)ccc21	409349801	WEKCUOVOFPXSPU-YBEGLDIGSA-N	426.479	3.191	10	40	IGCB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Br)c3)C2=O)c1	8564379	OFGMYSJZVORGAY-ZSOIEALJSA-N	431.242	3.133	10	40	IGCB	
COc1cc(Br)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC	8721142	XQMFRFFYNYXPPQ-UHFFFAOYSA-N	443.363	3.353	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(N4CCOCC4)c(Cl)c3)C2=O)c1	9308284	FZCWKRJOLGYDIF-GHRIWEEISA-N	440.887	3.064	10	40	IGCB	
CCCCCCN1C(=O)/C(=C\c2[nH]c3ccccc3c2CCNC(C)=O)C(=O)NC1=S	12661911	PGSGBBIKGDXPAH-JXAWBTAJSA-N	440.569	3.054	10	40	IGCB	biogenic
CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(Cl)ccc3Cl)nnc2n1	22078468	CCQCSDMSECDZFV-UHFFFAOYSA-N	441.348	3.421	10	40	IGCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cccc([N+](=O)[O-])c3)C2=O)ccc1Br	408534357	QOYARWGWHVUQPV-NTEUORMPSA-N	445.229	3.245	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4F)o3)CC2)cc1	928238	IQTFJIPQNWCJRL-UHFFFAOYSA-N	428.489	3.325	10	40	IGCB	
O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	4088954	AADFPGDAPCFCEB-JQVVWYNYSA-N	441.509	3.442	10	40	IGCB	
CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	9310070	ACNWDPBWQYQGJI-MHWRWJLKSA-N	448.426	3.408	10	40	IGCB	
N#CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	35404762	XVLHUIUEKYGHGR-JYRVWZFOSA-N	432.661	3.466	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)CC2)cc1	59409477	PRAIGGPCHKMTSE-XQDLNMBRSA-N	440.584	3.343	10	40	IGCB	biogenic
Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(O)cc1	409213845	UXFIPGCIFPQXBA-CIAFOILYSA-N	448.454	3.470	10	40	IGCB	
COc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1	928205	KGAKDVOZFJWPOT-UHFFFAOYSA-N	440.525	3.195	10	40	IGCB	
CCN(CC)c1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)c(O)c1	13810400	DHNUWJLJPHYMTN-YVLHZVERSA-N	430.302	3.462	10	40	IGCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	408851602	DETBISHPOUENHA-NTEUORMPSA-N	448.248	3.448	10	40	IGCB	
Cc1c(N2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)c(=O)n(-c2ccccc2)n1C	9058737	NJMBBMHRLJAZDF-BOPFTXTBSA-N	439.518	3.301	10	40	IGCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C\NCCc2c[nH]cn2)cc1	100432866	CCYAOBRXMDDXPL-AQTBWJFISA-N	444.520	3.495	10	40	IGCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N(N4CCOCC4)C3=O)o2)c([N+](=O)[O-])c1	8819007	OFDUXCBMHLVBIG-GZTJUZNOSA-N	447.494	3.312	10	40	IGCB	
Cc1cc(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(Cl)cc1	9157481	PVCYKIAPWCWXCM-CQSZACIVSA-N	445.903	3.192	10	40	IGCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3cc4ccccc4o3)CC2)c([N+](=O)[O-])c1	14269037	RQARDYAGSABXRW-UHFFFAOYSA-N	440.481	3.187	10	40	IGCB	
CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O	408915570	YBSNEKWODMRRPB-VGOFMYFVSA-N	449.232	3.359	10	40	IGCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)cc1	409104017	YDSKXKVYLMXTKI-RCCKNPSSSA-N	435.549	3.225	10	40	IGCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	409405857	IIYTVOXAASUOER-QNGOZBTKSA-N	427.460	3.474	10	40	IGCB	
O=C(O)C[C@@H](NCc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	9281083	OABAWSNBZPCXBT-OAQYLSRUSA-N	428.444	3.034	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	9429032	VSAWFCQWAJWBBI-TZWKYVIBSA-N	444.490	3.470	10	40	IGCB	
CNC(=O)[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc2O1	12914321	ANZCUPLJQGVZGT-QFIPXVFZSA-N	439.475	3.088	10	40	IGCB	
CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1	22733604	VIBYUQKZLWHUJL-RUZDIDTESA-N	436.600	3.185	10	40	IGCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C	34706961	MIFNBUDNYBWRMH-UNOMPAQXSA-N	432.436	3.472	10	40	IGCB	
CCn1cc(N(Cc2ccccc2O)S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)O)n1	36615268	WNXJLISRJVSOCL-UHFFFAOYSA-N	435.889	3.356	10	40	IGCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1I	108951461	CCCQLELOXNTKCH-MDWZMJQESA-N	436.180	3.097	10	40	IGCB	
CN(C(=O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1	257280263	OKEXUNFXBCVMPI-INIZCTEOSA-N	442.516	3.394	10	40	IGCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1	13073886	HVZXQGGDSDUAQD-KWZJRMENSA-N	447.490	3.474	10	40	IGCB	
CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)c1	24601541	YRRBXNMXKGACDB-UHFFFAOYSA-N	446.569	3.104	10	40	IGCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1	225016500	RHFRFGUSGVGKJG-GOSISDBHSA-N	445.585	3.014	10	40	IGCB	
COc1cc(/C=C2\SC(=S)NC2=O)c(Br)c(Br)c1O	13549656	BNELWBBQZRXBBD-UTCJRWHESA-N	425.123	3.415	10	40	IGCB	
COc1ccc2c(c1)c(/C=C1\SC(=S)N(CCCN3CCOCC3)C1=O)c(C)n2C	102736844	IAMWEXQZWNBUQN-ZHZULCJRSA-N	445.610	3.419	10	40	IGCB	
O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	409049969	RTNGYXDHCLVDSP-RIYZIHGNSA-N	435.219	3.123	10	40	IGCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)cc1	409240824	IHKIBXLFXISMDB-QGOAFFKASA-N	425.510	3.071	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(N)=O	9188662	HZKNLJUPORNAGL-PDGQHHTCSA-N	428.535	3.003	10	40	IGCB	
CCOC(=O)c1c(NC(=O)C[C@H](NCCc2ccccc2)C(=O)O)sc2c1CCCC2	10434190	JBFAWVSYBFPUFE-KRWDZBQOSA-N	444.553	3.418	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@@H]43)CC2)cc1	59410076	BTDFXRGYBMACRJ-WIAZEZMVSA-N	440.584	3.344	10	40	IGCB	biogenic
O=C(NCc1ccc(N2CCOCC2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1	225479678	RUPUYCMQXLFBJI-QJOMJCCJSA-N	431.492	3.204	10	40	IGCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(OC)c3)C2=O)cc1	408867735	MSNMBVABDSMJAY-LICLKQGHSA-N	428.828	3.192	10	40	IGCB	
COC(=O)c1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)c1	44169851	GYNFNZRGYYIMBH-UHFFFAOYSA-N	440.521	3.499	10	40	IGCB	
Cc1cc(/C=C/C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1ccc2c(c1)OCO2	9221175	XGUJPHOZWAXTPM-VMPITWQZSA-N	447.491	3.414	10	40	IGCB	
COC(=O)c1sc2nc3c(c(-c4cc(OC)c(OC)c(OC)c4)c2c1N)CN(C)CC3	9420209	GQCDYXOPRVPTJR-UHFFFAOYSA-N	443.525	3.346	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CCC(=O)NCCc3ccc(O)cc3)C2=O)c1	13574373	XRWRTVQJGXKDIA-RGEXLXHISA-N	442.562	3.351	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1ccc(O)cc1C(=O)O	16922135	OUKFZUWFGBZRRA-CHHVJCJISA-N	432.454	3.069	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c(C)n1-c1ccc2c(c1)OCCO2	3400754	VFHBBUCTUSNDPU-SFHVURJKSA-N	425.485	3.015	10	40	IGCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NN3CCN(C)CC3)C2=O)cc1	8819796	CSVVSXWUSXMZFM-MNDPQUGUSA-N	446.642	3.035	10	40	IGCB	
COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(OC)cc3O)n2)cn1	35425251	FVCJHOXHNLUPLZ-SFHVURJKSA-N	425.489	3.241	10	40	IGCB	biogenic,in-vitro
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3cccs3)N3CCCCC3)ccc21	9138247	MCSBBWDBWZLFBZ-JOCHJYFZSA-N	440.613	3.090	10	40	IGCB	
COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12	101968557	MQGHBBGWYHTZHS-GASCZTMLSA-N	439.464	3.341	10	40	IGCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C	223680729	VXFWCWLBYAFHFG-FCHUYYIVSA-N	435.553	3.420	10	40	IGCB	
CCOc1ccccc1N(CC(=O)NCc1ccc(N(CC)CC)cc1)S(C)(=O)=O	224871787	YPKOYGIRPJFYAP-UHFFFAOYSA-N	433.574	3.014	10	40	IGCB	
COc1ccccc1N(CCCC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O	225388123	IKWDOOWRWQNQCT-UHFFFAOYSA-N	445.585	3.158	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	409394018	ULVBVAKXEUMBNK-YBFXNURJSA-N	431.408	3.064	10	40	IGCB	
CN(C)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1	6160675	OPRNKVGFEOBUFJ-KEYYUXOJSA-N	429.489	3.083	10	40	IGCB	
c1coc(-c2nc(N3CCN(c4ccc5c(c4)OCCO5)CC3)ncc2-c2cnccn2)c1	12089373	SYUBYHWDHAJYOD-UHFFFAOYSA-N	442.479	3.291	10	40	IGCB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1	12466824	AETZCWSHWSKUJR-STZFKDTASA-N	434.492	3.467	10	40	IGCB	
COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12	15954538	JBMCOTJEJYLIDL-IVCQMTBJSA-N	437.492	3.487	10	40	IGCB	biogenic
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OC)cc1	17094377	NJVXVANTRIWMLG-MOSHPQCFSA-N	425.416	3.264	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccc3c(c2)CCN3C)CC1	22733630	VDFATFVHQQMYOW-JOCHJYFZSA-N	446.517	3.416	10	40	IGCB	
CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	22734822	UOKHJLSAFBWDHJ-VWLOTQADSA-N	436.600	3.186	10	40	IGCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OC(C)C)C2=O)o1	33660654	JLDBWCRPZGOTIY-YVLHZVERSA-N	427.457	3.012	10	40	IGCB	
N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12	41084325	LNYMOCOMNZICKI-MKGVMWAWSA-N	443.510	3.074	10	40	IGCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\NCc2ccccn2)cc1	8916463	RHONOFAYORYRJN-QNGOZBTKSA-N	429.436	3.423	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	8995213	YGKODFJTOCBOEB-MDKXCRPYSA-N	446.481	3.458	10	40	IGCB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc(F)cc1	17094779	SXZKNBADQANJMF-MOSHPQCFSA-N	426.404	3.063	10	40	IGCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCC(C)C	96193713	PQPBQGCGNCITQU-UHFFFAOYSA-N	439.306	3.316	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1O[C@@H](C)CC	408916944	JECGFVUQIUAKLN-QVIVLVACSA-N	441.347	3.282	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)ccc1O	1834815	SSYYHUMUDIOYIV-MHWRWJLKSA-N	445.478	3.245	10	40	IGCB	
O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCC1	9008132	LVHHDVYHEGHVMY-AABGKKOBSA-N	433.435	3.259	10	40	IGCB	
COc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc(OC)c1O	9189257	VQXADLNYNBVNOL-UYRXBGFRSA-N	443.500	3.341	10	40	IGCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1	408695743	YBLRPEVGELKXFM-CPNJWEJPSA-N	434.448	3.368	10	40	IGCB	
Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c1	408947389	CHUZUQNBPFXUCM-VCHYOVAHSA-N	444.447	3.193	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)cc1	409088257	KPSWINQPGMHRJC-XWAFYUISSA-N	442.493	3.479	10	40	IGCB	
COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1	409241876	SNPUOPHMOBHRQC-MOSHPQCFSA-N	445.479	3.029	10	40	IGCB	
COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc(OC)c1OC	2443830	PLDMYHDNKJNXFT-AQTBWJFISA-N	437.448	3.368	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCCC3)ccc21	13007976	VHSCLIKKWHVYMN-XMMPIXPASA-N	438.616	3.329	10	40	IGCB	
Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c(C)c1	22735509	SDHWXRUVGKIWDS-HSZRJFAPSA-N	443.613	3.038	10	40	IGCB	
COC(=O)C[C@H](c1cnn(C)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96222842	SWHPAPBVIRCVCQ-CQSZACIVSA-N	436.420	3.005	10	40	IGCB	biogenic
O=C(O)CCCCCCCCCCN/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O	100723191	SOVVROFKTLWNCQ-MNDPQUGUSA-N	429.517	3.334	10	40	IGCB	
Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1	408876592	MOKHSKHXEUMUOR-UHFFFAOYSA-N	431.311	3.251	10	40	IGCB	
CCCCCCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC	408536627	AERBXOIDUFEPNS-UHFFFAOYSA-N	425.279	3.166	10	40	IGCB	
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(Br)cc(OC)c1O	408817130	KQYHTOQIDYMJRZ-QGZVFWFLSA-N	447.285	3.492	10	40	IGCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)N=C2S1	8816767	VYEHDCYQGAVBPT-MWSJVPHRSA-N	440.506	3.483	10	40	IGCB	
CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S	12363931	HASYRNLGGHLAGK-GHRIWEEISA-N	445.928	3.333	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(O)cc1C(=O)O	13574589	LQSNHDNGDSWSRF-SXGWCWSVSA-N	446.481	3.460	10	40	IGCB	
Cc1ccc(C(=O)O)cc1N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O	408550977	LDQBMEMKCUYDKO-WQLSENKSSA-N	433.848	3.229	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1	408881147	JVGXJTYEYKBMRY-UHFFFAOYSA-N	430.913	3.459	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1	409223433	FSVGKMJGDIJXIJ-FYJGNVAPSA-N	429.480	3.222	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2cccc(Br)c2)c2ccc(N(C)C)cc2)CC1	23080552	WWGYGMRJPDVXDL-OAQYLSRUSA-N	445.405	3.234	10	40	IGCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)SC1=S	108097221	RPXUCZHZVBKWDU-GHXNOFRVSA-N	446.344	3.231	10	40	IGCB	
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C1\C(=O)Nc2ccc(F)cc21	8821930	SNKYQUGTSPQQEH-ZCXUNETKSA-N	426.448	3.080	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCC(=O)OC	59135288	GXPIJBMZEMEUAM-MHWRWJLKSA-N	442.399	3.283	10	40	IGCB	
COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1	408780452	YWIFBUPITXLQAT-MOSHPQCFSA-N	437.448	3.124	10	40	IGCB	
O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccccc1[N+](=O)[O-]	27533894	NLLSWOWOCVQKSJ-NTEUORMPSA-N	425.451	3.017	10	40	IGCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OC(=O)c1ccc2c(c1)OCO2	33721358	VRMQOGDEOHXENM-LDADJPATSA-N	428.400	3.096	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)C(=O)OC	108994571	NIUPMKIJFDFCAE-YDRQLGOLSA-N	444.871	3.140	10	40	IGCB	
Cc1cccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1	220142459	XWBVCIDPIXMEJP-IBGZPJMESA-N	429.586	3.456	10	40	IGCB	
CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CN2Cc3ccccc3C2)C1)c1ccccc1	585165369	KDHSJFUUFISUCO-OAQYLSRUSA-N	443.551	3.408	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3cccs3)N3CCCCC3)ccc21	9138253	MCSBBWDBWZLFBZ-QFIPXVFZSA-N	440.613	3.090	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)c(C)n1-c1ccccc1	9876989	NLLSIIOZIWQKAQ-UHFFFAOYSA-N	435.505	3.372	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	12414145	RTOXKVPUCVHJIL-TZWKYVIBSA-N	444.490	3.470	10	40	IGCB	
CCN(CC)c1ccc(/C=c2\sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1	27021007	QBQGSBDNUPBAJO-PQDCBLBRSA-N	434.521	3.057	10	40	IGCB	
C[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S	43730408	QNYYPTPWVFQAFE-GWMPIMTBSA-N	432.592	3.058	10	40	IGCB	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1	222902850	IIRCCAKDDLQYJK-UHFFFAOYSA-N	445.585	3.256	10	40	IGCB	
Cn1cccc1-c1cc(C(=O)Nn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)n[nH]1	1547201102	WIVKELPJIIPJGS-UHFFFAOYSA-N	435.443	3.325	10	40	IGCB	
Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(I)c1	225026517	KCASRPRIERAEDY-UHFFFAOYSA-N	436.293	3.366	10	40	IGCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O	409240515	UGXKLEQWXVKLOO-NBVRZTHBSA-N	445.431	3.241	10	40	IGCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	24975827	LICGPZNVPRWVPD-OAQYLSRUSA-N	436.581	3.196	10	40	IGCB	
CN(C)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1	28295005	OLJNHCLEENWKKO-GZTJUZNOSA-N	432.402	3.303	10	40	IGCB	
CCCCCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC	408539266	UYTUEEQZHCEDFW-UHFFFAOYSA-N	441.347	3.331	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1O	408879627	FOULOGPAJHDEQR-NTUHNPAUSA-N	445.269	3.447	10	40	IGCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)OC)c4ccccc34)C2=O)cc1	408983312	LIIDMSZOVSDTAG-UNOMPAQXSA-N	431.448	3.043	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1	409207270	QTOKKYUKWASVSL-MOSHPQCFSA-N	435.480	3.285	10	40	IGCB	
COC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OC)c2c(-c3ccccc3)cc(=O)oc2c1	634495	CUFBSIXIFWUXGC-UONOGXRCSA-N	426.421	3.341	10	40	IGCB	biogenic
CC(=O)c1ccccc1NC(=O)CN(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2	79111778	NSRPOJZBFSLLRT-UHFFFAOYSA-N	426.469	3.405	10	40	IGCB	
CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc(N3CCCC3)c(C)c1)CC2	257307943	TUURXISYYJMICE-OAQYLSRUSA-N	448.615	3.321	10	40	IGCB	
Cc1cc(Br)ccc1N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	408531017	KBGLCDXXMKRVDQ-FOWTUZBSSA-N	428.286	3.374	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Br	409171772	AGPIQRQNFSNACU-FMIVXFBMSA-N	447.310	3.298	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNC[C@@]3(C)C[C@@H](O)CC(C)(C)C3)C2=O)c(C)c1	2049286346	PDEHXAAANCOGQN-XDHUDOTRSA-N	427.545	3.245	10	40	IGCB	
CCCN1C(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)C(=O)N(c2ccccc2)C1=S	409018501	WGMCGOVABNNMLM-LFIBNONCSA-N	426.494	3.363	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C2=O)cc1Cl	409041629	KEPAVFJCNUCMSI-AWNIVKPZSA-N	449.246	3.432	10	40	IGCB	
COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc(I)c1O	1405990	CIIVAOJJAOPYEK-UHFFFAOYSA-N	446.237	3.251	10	40	IGCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1	9323467	KXVPFDCPQAKGOE-XDHOZWIPSA-N	445.431	3.485	10	40	IGCB	
O=C1C[C@@H](c2cccnc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96222116	QYSQJPNRUZZBBU-LBPRGKRZSA-N	433.372	3.118	10	40	IGCB	biogenic
Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1	9311449	VIRHVFDNLXRWPA-UHFFFAOYSA-N	431.311	3.251	10	40	IGCB	
O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cccc(-c2ccc(CO)o2)c1	9344507	VNWAJPQDPARRSK-XSFVSMFZSA-N	431.448	3.056	10	40	IGCB	
CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	16957370	YNBFOPWTKBHKQC-MOSHPQCFSA-N	437.521	3.096	10	40	IGCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O	107590195	JHLRTIBIYPAKGV-UNOMPAQXSA-N	440.450	3.405	10	40	IGCB	
CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)s1	222890926	NKKYZNVNOHSYBW-AWEZNQCLSA-N	437.591	3.162	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(Cl)cc3)C2=O)cc1	408533884	PLRLQMVLSOFFSF-LFIBNONCSA-N	428.832	3.027	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3)N3CCOCC3)ccc21	16838271	ZRDADFGDLBGMBC-HSZRJFAPSA-N	443.975	3.291	10	40	IGCB	
CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1	224330916	OEXWLSBGCFVXJG-ZIAGYGMSSA-N	437.591	3.162	10	40	IGCB	
Cc1ccn2cc(CNC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)nc2c1	58224747	IFIKMKRDWYQKNI-UHFFFAOYSA-N	447.461	3.498	10	40	IGCB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc21	408527366	DIWSKITUGMCEOK-RQZCQDPDSA-N	440.506	3.187	10	40	IGCB	
O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409393330	QHBOVCPVNWPWRU-GDNBJRDFSA-N	437.795	3.360	10	40	IGCB	
CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1	8964073	FBKYKCUCCBPHRK-JOCHJYFZSA-N	438.597	3.293	10	40	IGCB	
COc1ccccc1C(=O)NN1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S	27229271	KCIKVGULJJHXGI-LFIBNONCSA-N	430.507	3.259	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1	225099831	LNOYCGDPKVAJJX-UHFFFAOYSA-N	429.586	3.388	10	40	IGCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Br)cs1	409189221	MZJKUXWLJQCIFE-WUXMJOGZSA-N	437.296	3.040	10	40	IGCB	
Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1	409226554	UNOBRUGIQPYVII-UHFFFAOYSA-N	448.262	3.069	10	40	IGCB	
CC(C)OC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cl	8430124	HBGGNXOIDFVNSZ-WJDWOHSUSA-N	427.844	3.484	10	40	IGCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCCC3)C2=O)cc1	8819556	VANJJXIUCPKLFS-VKAVYKQESA-N	432.567	3.467	10	40	IGCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1	10113144	ZFAKRZQLAVBDSS-UHFFFAOYSA-N	435.977	3.413	10	40	IGCB	
CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O	408893469	ASRWMUHURDUDTL-RIYZIHGNSA-N	431.788	3.019	10	40	IGCB	
O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccc([N+](=O)[O-])cc1	27533898	JKDVLTYPSLZXMQ-NTEUORMPSA-N	425.451	3.017	10	40	IGCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)N=C1O	102627571	LSCAKHQFRHAKJG-LVSKKATPSA-N	446.463	3.157	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)C(=O)NC1=S	409173470	NSADMESYFUSQPG-FOWTUZBSSA-N	448.456	3.485	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)NC1=S	409174043	QNHUATKVPBUPQD-NTCAYCPXSA-N	425.485	3.266	10	40	IGCB	
CN=c1cc([C@]2(C)CCCN(C(=O)c3cc(N4CCCCC4)ccc3OC)C2)nc(C)[nH]1	2037801984	KVRUZCMWOBNHRT-RUZDIDTESA-N	437.588	3.441	10	40	IGCB	
CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1	8854725	HMTBATBOOPSTTI-IAAPFODBSA-N	438.556	3.432	10	40	IGCB	
O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	9264426	CARJITBWCKHTHY-PDGQHHTCSA-N	436.424	3.356	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C(=O)NC2=S)cc1	409187979	DXLBYPSQCKHDOO-QCUKBLKESA-N	433.489	3.427	10	40	IGCB	
Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1	10113609	QBEAJBVPHOJIQT-LJQANCHMSA-N	429.586	3.375	10	40	IGCB	
Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O	13631789	DSYUKHMPKAMFJE-UHFFFAOYSA-N	435.977	3.331	10	40	IGCB	
O=S(=O)(c1cccc2nsnc12)N1CCN(Cc2c(O)ccc3ccccc23)CC1	19079029	FOWYWSUJWQWEGS-UHFFFAOYSA-N	440.550	3.057	10	40	IGCB	
C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCCC4)c(F)c2)CC3)C[C@H](C)O1	72347302	XRQMQFAPGNXVQI-IRXDYDNUSA-N	441.551	3.093	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NNc1ccc(Br)cc1	408532871	RJGAJUSBAYROPA-FMIVXFBMSA-N	435.665	3.186	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408866104	DMKNRTMYZSJBIR-UHFFFAOYSA-N	433.445	3.241	10	40	IGCB	
CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C	13008610	BKNRDNMTMYWGLG-FQEVSTJZSA-N	426.586	3.149	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc(OC)c1OC	33403410	UEMMUUKWRMJZHM-GZTJUZNOSA-N	444.534	3.188	10	40	IGCB	
CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	9666519	LMHGKWJRCDMVMW-UHFFFAOYSA-N	442.427	3.216	10	40	IGCB	
Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1	13647143	CJUDCXPXRABIST-PAONJLBZSA-N	428.583	3.316	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1	23721837	QNCRTJIUHOKPDU-DEOSSOPVSA-N	445.519	3.219	10	40	IGCB	
COc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	35597189	JIWSTFDUWFKRIF-QHCPKHFHSA-N	437.588	3.188	10	40	IGCB	
COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1	225776769	LEKRKBDYLOBYIK-UHFFFAOYSA-N	432.977	3.365	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCOc1ccccc1OC	13168663	NQUXEPQVGFEUOR-JCMHNJIXSA-N	441.459	3.043	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC	408933529	AOJNQLIOIZVYQE-LFIBNONCSA-N	425.397	3.059	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S	9215829	HXYLFWKNQZKYSC-LKBVRNOZSA-N	428.491	3.319	10	40	IGCB	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)c1	9259374	ZXHQEVGYBXDHQK-NVNXTCNLSA-N	444.896	3.252	10	40	IGCB	
CN(C)c1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1	12592745	OQRIZJCXTQITEJ-UHFFFAOYSA-N	426.542	3.164	10	40	IGCB	
COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21	13551129	QXNDSOLZJAQKMP-ODLFYWEKSA-N	431.448	3.098	10	40	IGCB	
Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1	33783608	RIEVLYTVIUYBMC-QNGOZBTKSA-N	427.460	3.474	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)SC2=S)cc1	35400592	UZYSNOCWCBEOHO-MHWRWJLKSA-N	445.478	3.158	10	40	IGCB	
C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCCC4)c(F)c2)CC3)C[C@@H](C)O1	72347303	XRQMQFAPGNXVQI-IAGOWNOFSA-N	441.551	3.093	10	40	IGCB	
COc1ccc(N2CCCN(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)cc1	89355987	JQJNZWWUDDPFOV-UHFFFAOYSA-N	433.499	3.467	10	40	IGCB	
COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O	13693023	RKKCCQOYZLVTNZ-MYWXAZLQSA-N	436.486	3.404	10	40	IGCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NN2CCOCC2)cc1	20288725	IRJSDDXODUJNSG-HKWRFOASSA-N	449.536	3.167	10	40	IGCB	
Cc1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc2c(c1)OCCO2	28507624	VSXSEGWHRROUFV-UHFFFAOYSA-N	441.509	3.489	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(OC)c1	408743758	XYMCNGUKBNDICH-OQLLNIDSSA-N	447.310	3.298	10	40	IGCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S	408744032	YGFUUJKYKNOABE-NTEUORMPSA-N	446.282	3.497	10	40	IGCB	
CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O	8983725	AXDVUIBANZFYMB-RIYZIHGNSA-N	449.232	3.359	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3I)C2=O)c1	13590373	XKJRZGWHSNSLSG-RAXLEYEMSA-N	447.232	3.178	10	40	IGCB	
O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	409049095	WEMKMFWSEOYUBS-NTUHNPAUSA-N	435.219	3.123	10	40	IGCB	
COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	408552409	SZBKVECMFDRRSA-XFXZXTDPSA-N	435.864	3.240	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNC[C@]3(C)C[C@H](O)CC(C)(C)C3)C2=O)c(C)c1	2049286344	PDEHXAAANCOGQN-MZNJEOGPSA-N	427.545	3.245	10	40	IGCB	
CCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)s1	8819329	MZEQKRAKZDKIHG-RAXLEYEMSA-N	434.568	3.339	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2ccc(N(C)C)cc2)CC1	23080554	DGHYIMVFDAHAEG-OAQYLSRUSA-N	445.405	3.234	10	40	IGCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1	41084405	UCYUVHBUMDADAS-RYEIUNSYSA-N	448.552	3.311	10	40	IGCB	
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O[C@H](C)C(=O)O	106374664	JXTQZYLYDSCAAF-JPVKTXQWSA-N	436.464	3.127	10	40	IGCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1C	408952173	KVBHCLWLSRLYHO-YBFXNURJSA-N	429.432	3.489	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)cc1	409245207	PAFZYFRLIQWHOS-CPNJWEJPSA-N	432.505	3.329	10	40	IGCB	
C[C@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	78970685	GLFQIKNQUZMTKT-AWEZNQCLSA-N	425.444	3.248	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N(C)C)ccc21	8963928	DUJIFANKIZWXCO-IBGZPJMESA-N	434.462	3.055	10	40	IGCB	
O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1C[C@H]1CCCO1	9296263	HKPUMEMFLZQLBL-QVASGMJFSA-N	447.319	3.377	10	40	IGCB	
COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1	13713021	QBYWGGUWSPKNEJ-YBEGLDIGSA-N	445.478	3.158	10	40	IGCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)O)c1	33489201	MPYYKYLGUZSARU-MOSHPQCFSA-N	444.443	3.434	10	40	IGCB	
CC[C@H](C)Oc1cc(Br)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC	408904047	CWAMSRVSVPZIMY-JTQLQIEISA-N	441.347	3.234	10	40	IGCB	
CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)C(=O)NC1=S	408917037	LHAQYRNWDXGNGO-XNTDXEJSSA-N	431.311	3.285	10	40	IGCB	
CC(C)Oc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1	8590082	WDJHNOKQVUDBIL-NRFANRHFSA-N	430.570	3.369	10	40	IGCB	
O=C1/C(=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)SC(=S)N1CCc1ccccc1	217527049	PQAARVOAKNUHBB-JMZFCABKSA-N	437.590	3.212	10	40	IGCB	
O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)ccc21	224132834	UBRPFDZISGUXLK-UHFFFAOYSA-N	439.581	3.455	10	40	IGCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C[C@@H]3CCCO3)c2C)cc1	9863242	KJEKRJPVGSPGKO-SFHVURJKSA-N	427.530	3.243	10	40	IGCB	
CCN1C(=O)CC[C@@H]2N(CC3(O)CCN(c4ccc(OC)cc4)CC3)CCCC[C@@]21C	585282892	IXDVECXNUXFVJH-UPVQGACJSA-N	429.605	3.282	10	40	IGCB	
COc1ccc(N2CCN(C(=O)c3c(F)c(F)c(OC)c(F)c3F)CC2)c([N+](=O)[O-])c1	8831776	OGORSPLYTTVHLH-UHFFFAOYSA-N	443.353	3.131	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	9588707	XUTQDZFTKYOQGB-VWLOTQADSA-N	445.475	3.473	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCCCC3)ccc21	23858037	IVRJEMQPWJNNHG-QFIPXVFZSA-N	442.510	3.239	10	40	IGCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)c([N+](=O)[O-])c1	33787609	AQQRQPGPCUKZEM-UNOMPAQXSA-N	432.436	3.472	10	40	IGCB	
COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N1CCCc3ccccc31)=C2C	219191049	HBNZTLMERDGABL-UHFFFAOYSA-N	428.510	3.194	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc4nccnc4c3)C2=O)c1	8990193	BWMVVSUJSCSZNX-ZDLGFXPLSA-N	436.518	3.478	10	40	IGCB	
O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	409098752	PDXZNPKLBDOZOI-LFIBNONCSA-N	446.290	3.496	10	40	IGCB	
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O)C(=O)O	409189023	HFHVUGPSTJLUSX-BTAWCLGRSA-N	430.869	3.023	10	40	IGCB	
COc1ccc(N2CCC(O)(CN3CCCC[C@@H]4N(C(C)=O)CCC[C@@]43C)CC2)cc1	585262979	SDHWSCKNRGPTCZ-ZEQRLZLVSA-N	429.605	3.282	10	40	IGCB	
CCCC[C@H](CC)COCCCN/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	6635905	METDVBGCJZJYDU-AWZALFRUSA-N	431.533	3.375	10	40	IGCB	
O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccc(O)c(CN3CCCCC3)c1)C2	72336827	LIEVLDSJQLOMSG-UHFFFAOYSA-N	431.540	3.082	10	40	IGCB	
COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccc(-n4c(C)ccc4C)cc3)nc2c1	9670496	DBBZRCBXEDNUBT-UHFFFAOYSA-N	431.448	3.474	10	40	IGCB	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCCc3cc(OC)ccc32)ccc1C	14703364	KOJTVXWFVACXIU-UHFFFAOYSA-N	445.585	3.425	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=O)N=C2O)ccc1OC(=O)c1ccccc1Br	24543574	HKPJDHMCGNTRML-UHFFFAOYSA-N	445.225	3.267	10	40	IGCB	
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1	59109583	FBTFFIDKOOVTAO-UHFFFAOYSA-N	432.889	3.254	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H](O)CN2CCOCC2)c2ccccc12	101267599	FGZRYFQVUKZIRU-NMWDDECMSA-N	444.535	3.141	10	40	IGCB	
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c2ccccc21	409231203	IKYSVHDDVTVBED-LDADJPATSA-N	447.516	3.344	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(OC)c1OC	409339155	SIWBNVRIXQGWOD-NTEUORMPSA-N	436.536	3.320	10	40	IGCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccnc4)c3C)C2=O)c1	8451811	PNJMCDFZSUNROV-CIAFOILYSA-N	429.480	3.329	10	40	IGCB	
CCN(CC)c1ccc(CN(C(=O)c2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	9159277	MGFODPBCOFWLPS-OAQYLSRUSA-N	430.570	3.371	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)c3ccccc3Br)N3CCOCC3)ccc21	22733457	YDFQIMJEXKZIHD-NRFANRHFSA-N	444.373	3.245	10	40	IGCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(Cl)cc3Cl)nnc2n1	27526651	GDXPSOHBHURPIX-UHFFFAOYSA-N	441.348	3.421	10	40	IGCB	
COc1cc(Br)c(Br)c(/C=C2/SC(=S)NC2=O)c1O	16194668	KHYSZMKBBNJCCY-FARCUNLSSA-N	425.123	3.415	10	40	IGCB	
CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)s1	222891003	NKKYZNVNOHSYBW-CQSZACIVSA-N	437.591	3.162	10	40	IGCB	
COC(=O)c1c(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)sc(C)c1C	409205025	NGDWKTINNUNJDF-UHFFFAOYSA-N	445.566	3.158	10	40	IGCB	
COC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OC)cc2oc(=O)cc(-c3ccccc3)c12	634492	CUFBSIXIFWUXGC-KGLIPLIRSA-N	426.421	3.341	10	40	IGCB	biogenic
COc1cccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1O	18068283	CNCJVMCKYBVHRF-XPNTWCBSSA-N	430.460	3.448	10	40	IGCB	
COc1ccc(N2CCN(C(=O)c3ccc(Cn4cc(Br)cn4)o3)CC2)cc1	27980929	RKYWIXALIVKPBQ-UHFFFAOYSA-N	445.317	3.258	10	40	IGCB	
C=CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	108993326	RCUOGCGECBOFID-GDNBJRDFSA-N	429.270	3.484	10	40	IGCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c(OC)c1	408898245	PIZKOOQMDPXBIA-DHDCSXOGSA-N	445.269	3.441	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1C(C)(C)C	409191434	HHDRFUBWVIPFAI-GZTJUZNOSA-N	425.510	3.389	10	40	IGCB	
CC(C)c1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1	10113554	SFSWZPKWHIWQFV-UHFFFAOYSA-N	429.586	3.493	10	40	IGCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)c(C)c1	107800499	PVZDALUVEYSVIF-WOJGMQOQSA-N	434.404	3.297	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1	224598716	BPZHKYCJNLIRGA-GOSISDBHSA-N	435.615	3.311	10	40	IGCB	
Cc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1N1CCCC1=O	225777249	HNZCNSPYEMQIOJ-UHFFFAOYSA-N	437.613	3.360	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3ccccc3I)C(=O)NC2=S)c1	408550383	GUGDGNPPGKPJST-GXDHUFHOSA-N	448.285	3.431	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3cccc(-n4cnnn4)c3)c2C)cc1	3606457	QMJRCZVQSJOCCY-UHFFFAOYSA-N	431.452	3.118	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S	4113363	IQLIRRVHHRPCLJ-CXUHLZMHSA-N	430.463	3.460	10	40	IGCB	
COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	9096385	SUSFWSGDBDTSTP-UHFFFAOYSA-N	426.473	3.293	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N(C)C)ccc21	13008653	TYACXBHTQQGOLK-FQEVSTJZSA-N	448.489	3.445	10	40	IGCB	
COc1ccc(N2CCN([C@@H](c3ccc(C)cc3)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504364	KQEBZKZVBLMZFZ-RPWUZVMVSA-N	448.571	3.081	10	40	IGCB	
O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1cccc([N+](=O)[O-])c1	27533896	XBTCXJQOCZXYKG-NTEUORMPSA-N	425.451	3.017	10	40	IGCB	
CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S	33539410	VSHAXDGQWXAVKD-YBFXNURJSA-N	449.557	3.388	10	40	IGCB	
O=C1Nc2ccc(Br)cc2/C1=C/c1nc2ccccc2c(=O)n1CCCO	9122125	XUGVRSLJPXIMHI-PTNGSMBKSA-N	426.270	3.034	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)O	16915080	WMBMFWSCQYIOHA-REZTVBANSA-N	445.474	3.293	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)CCSc3ccccc3)N3CCOCC3)ccc21	38671947	MIVHOTOCZRSPKB-QHCPKHFHSA-N	425.598	3.351	10	40	IGCB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O	409090459	POBIPCUWWDGRGP-VBEHJTROSA-N	434.514	3.292	10	40	IGCB	
CN1CCCc2cc(/C=C3\SC(=S)N(NC(=O)c4ccc(O)cc4)C3=O)ccc21	13727420	SDDAMWNJOUHEOW-PDGQHHTCSA-N	425.535	3.321	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OC	664557	GWYCMJBNFVELQW-OQLLNIDSSA-N	426.494	3.161	10	40	IGCB	
CC(C)CN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S	2328178	YKRMSBZOCSHICO-PTNGSMBKSA-N	446.623	3.105	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c(C)n1-c1ccc2c(c1)OCCO2	3400750	VFHBBUCTUSNDPU-GOSISDBHSA-N	425.485	3.015	10	40	IGCB	
CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O	8870177	RRNKJKKLSUKDKD-FGOSNBJFSA-N	432.567	3.450	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1C(=O)O	10038292	KZFDYHPHTZGLPZ-OQLLNIDSSA-N	428.828	3.412	10	40	IGCB	
CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(Cc1ccc(N3CCCC3)cc1)C2	19708878	LZKTVYDKDDYVQD-OAQYLSRUSA-N	448.615	3.403	10	40	IGCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1	41078428	VICBMMLAZIFXEI-UVYYMYQDSA-N	433.420	3.373	10	40	IGCB	
CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O	10113147	BASDPMRZRXVVCG-UHFFFAOYSA-N	445.585	3.158	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1	34478358	YPORQKIALNXQEO-IUBFCHALSA-N	435.469	3.152	10	40	IGCB	
COc1cccc(Oc2c(C(F)(F)F)oc3c(CNCCO)c(O)ccc3c2=O)c1	57312271	ZTPQMTPAYDYWIX-UHFFFAOYSA-N	425.359	3.400	10	40	IGCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(O[C@H](C)C(=O)O)cc1	108223933	MMRXYZUTHOQUAG-VVRYKASASA-N	445.475	3.407	10	40	IGCB	
C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	220315164	LMCSRWJCCQYNPM-KRWDZBQOSA-N	433.549	3.287	10	40	IGCB	
CCN(CC)c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)c(O)c1	408721055	JGIINWALGWLXLG-APSNUPSMSA-N	445.342	3.166	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N(C)C)ccc21	8964010	QRTXKGLDGBJDRZ-IBGZPJMESA-N	434.462	3.055	10	40	IGCB	
CCOC(=O)C1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)CC1	51330646	CYCFUZSWBREKRI-JXAWBTAJSA-N	446.594	3.388	10	40	IGCB	
CCCCCCN1C(=O)N=C(O)/C(=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	102525599	HICDEVOITSXOSY-VKAVYKQESA-N	425.489	3.279	10	40	IGCB	
COc1cccc(Oc2ccc(N/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cn2)c1	408547075	PPEOAHALPQCPSX-PDGQHHTCSA-N	434.408	3.050	10	40	IGCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)cc1	409390405	FGNYHLUFUYSCPN-QGOAFFKASA-N	431.404	3.185	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCC3)ccc21	9135577	UIHFNHITQAVUJX-DEOSSOPVSA-N	438.616	3.329	10	40	IGCB	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNc2ccc(C(=O)O)cc2)c1	16190918	HCAGIPRCQJMQEO-UHFFFAOYSA-N	436.559	3.037	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1	9130800	BVJIJAFVFVZMSB-UHFFFAOYSA-N	429.567	3.302	10	40	IGCB	
CNc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2	9937767	CJYRERDBXGHRLP-MRXNPFEDSA-N	433.512	3.359	10	40	IGCB	
COc1ccc(N2CCN(CN3C(=O)C4(O[C@H]5CCCC[C@@H]5O4)c4ccccc43)CC2)cc1	12420875	VBBNJIKOMYXICX-ZEQRLZLVSA-N	449.551	3.332	10	40	IGCB	
COc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1OC	48988612	FEQHZHQYGUCYFV-UHFFFAOYSA-N	432.473	3.232	10	40	IGCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccnc4)c3C)C2=O)cc1	409024326	QOTCMSCUDPHFCZ-CIAFOILYSA-N	429.480	3.329	10	40	IGCB	
O=C(O)CCNC(=O)c1ccc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1	604404516	IDMAYYHOWHPCML-UHFFFAOYSA-N	438.439	3.407	10	40	IGCB	biogenic
COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccccc3O)CC4=O)CC2)cc1	9060708	VLFILELVRMQYDQ-QGZVFWFLSA-N	430.508	3.430	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc1	12374339	LVASLOJBVZDWRX-YBEGLDIGSA-N	428.491	3.233	10	40	IGCB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2)C[C@@H](C)O1	40146364	IYPZXKZTUNHTJW-HDICACEKSA-N	443.569	3.337	10	40	IGCB	
COc1ccccc1/N=N/c1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12	4803986	LJCNQAIPOYXZJZ-VHEBQXMUSA-N	438.439	3.463	10	40	IGCB	
Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1	9166732	CJUDCXPXRABIST-YZGPZLFDSA-N	428.583	3.316	10	40	IGCB	
COc1ccccc1/C=C1/SC(=S)N([C@H](C)C(=O)N2CCCC[C@H]2CCO)C1=O	9348436	KNTRSLZAJPENST-MZJAIECTSA-N	434.583	3.048	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=S)N=C2O)cc(Cl)c1OCc1cccc(C(=O)O)c1	16195663	LGEMWJGYAFMFNQ-UHFFFAOYSA-N	446.868	3.380	10	40	IGCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(C)CC1	408535897	UNMNIDJEXAGORL-JXAWBTAJSA-N	445.527	3.047	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc3nonc23)C1=O	13574092	BYESHVUHVVWOSA-WJDWOHSUSA-N	440.506	3.461	10	40	IGCB	
CCc1nnc2c(NCCCN3CCN(c4ccc(OC)cc4)CC3)nc3ccccc3n12	16162628	GMWCLLNNJDDHAE-UHFFFAOYSA-N	445.571	3.473	10	40	IGCB	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CCCN1CCOCC1	96930809	WZSUOQHRUBQSGA-NTCAYCPXSA-N	427.389	3.373	10	40	IGCB	
COc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)ccc1OCC(N)=O	100310919	BWYBMSVIHCAEJU-LZYBPNLTSA-N	433.386	3.384	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1OC	409233801	XLMXKYKHFOOUDU-RVDMUPIBSA-N	426.494	3.161	10	40	IGCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O	9265216	CQJXCJIGUCCCTQ-RGEXLXHISA-N	429.432	3.404	10	40	IGCB	
O=C1NC(=S)S/C1=C/c1cc(Br)c(O)c(I)c1	408738250	SRXGALMCKZAICT-XVNBXDOJSA-N	442.097	3.248	10	40	IGCB	
Cc1ccc(N(Cc2ccccc2O)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1	1462419	UQGRLFFPWZBFIU-UHFFFAOYSA-N	436.489	3.079	10	40	IGCB	
C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)O	2261662	MEVWASZAEAZSCU-WIWNTQSISA-N	430.869	3.023	10	40	IGCB	
Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2cc(Cl)ccc2O)CC1	19291264	AQUSHFIZKXQVED-OAQYLSRUSA-N	430.911	3.322	10	40	IGCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1	33489271	AYKANDIRXPQGEB-ZHZULCJRSA-N	443.459	3.174	10	40	IGCB	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	33582081	GVYUNLRDVXDMNJ-OTWJJXBCSA-N	446.525	3.186	10	40	IGCB	
COc1cc(N2CCCC2)c(OC)cc1CN1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1	72336825	LMSPKCOVMYRTFH-UHFFFAOYSA-N	447.539	3.008	10	40	IGCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Cl)c3)C2=O)cc1	408809625	IAQNRWCGWYWFIP-XNTDXEJSSA-N	428.828	3.192	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1OC	13714850	KAHMFBSQELUCKI-GDNBJRDFSA-N	445.478	3.158	10	40	IGCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	225567680	BTJMVSSYFORVON-UHFFFAOYSA-N	427.570	3.391	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)O	409218619	WHCZGHWONNNJGN-CPNJWEJPSA-N	429.432	3.459	10	40	IGCB	
COc1ccc(N2CCN(c3nnc(SCC(=O)NC4CCCC4)s3)CC2)cc1	23140019	DPJIAKWQMWHKBL-UHFFFAOYSA-N	433.603	3.024	10	40	IGCB	
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(Br)c1	59139627	MNLZQDHSLNPBRU-UHFFFAOYSA-N	432.343	3.455	10	40	IGCB	
COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1I	59513097	PDRNIVYTIUAYME-UHFFFAOYSA-N	428.222	3.444	10	40	IGCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccccc1	408734851	GFXRCNZRQZBUCL-UHFFFAOYSA-N	445.269	3.176	10	40	IGCB	
COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3F)C(C)=C2C(=O)OC)cc1	408877084	PQBJEKUDWGOLKB-ATVHPVEESA-N	425.412	3.255	10	40	IGCB	
CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1	409095470	BGTGSXQWFQPJMZ-AQTBWJFISA-N	439.537	3.381	10	40	IGCB	
CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21	1236266	ZVSSIGIEBDIIPG-PFONDFGASA-N	429.910	3.233	10	40	IGCB	
CCN(CC)c1ccc(CN(C(=O)c2ccccc2OC)[C@@H]2CCS(=O)(=O)C2)cc1	9159720	OZPBZXLPAAGQIQ-HXUWFJFHSA-N	430.570	3.371	10	40	IGCB	
COc1ccc(OC)c(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1	15012995	LTPFZMJFGPRXCP-GDNBJRDFSA-N	447.310	3.298	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)cc1	70680471	UNYJANFBGVUIQP-LVDFLNIKSA-N	440.584	3.102	10	40	IGCB	biogenic
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3O)C2=O)c(C)cc1Br	408531700	LGFFJTRWPPBUMM-FMIVXFBMSA-N	430.258	3.350	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCCCC3)ccc21	13007991	DJLKPSPTBPHKBO-JOCHJYFZSA-N	442.510	3.239	10	40	IGCB	
COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)c2C)cc1	3303032	LHQLKKXTNZMTGC-UHFFFAOYSA-N	445.475	3.276	10	40	IGCB	
Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCC4)C(=O)[C@@H]23)c1	59471505	SQCLNFQVIGTGKS-HKBOAZHASA-N	429.472	3.428	10	40	IGCB	
CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)ccc21	408527188	FJAKEOZMLPHHNL-GHRIWEEISA-N	447.495	3.038	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)N3CCCCC3)ccc21	9138111	RXJMKYVIWWVUHM-HSZRJFAPSA-N	426.605	3.161	10	40	IGCB	
Cc1cc(C(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)c(C)n1-c1ccccc1F	9157636	OLLWEOPRSHTACN-HNNXBMFYSA-N	430.505	3.272	10	40	IGCB	
Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	9471106	IGUMRIJVUNYSOF-UHFFFAOYSA-N	428.444	3.457	10	40	IGCB	
O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1Br	13800268	YMVYXJLYTZQKBH-JYRVWZFOSA-N	445.225	3.419	10	40	IGCB	
CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1	16733088	DBWUCTMJODMNRZ-ZHZULCJRSA-N	434.521	3.137	10	40	IGCB	
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O	23673865	GTUAAADDXRIXIT-UUOWRZLLSA-N	428.577	3.049	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c(OC)c1	409106455	NJGOGDWBTUDUKO-LDADJPATSA-N	449.488	3.031	10	40	IGCB	
COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1	11437400	HEKIXBRYXDKWEK-UHFFFAOYSA-N	449.507	3.323	10	40	IGCB	
CCCCOc1c(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCC	96193718	HGLAQZPGBFSMOP-UHFFFAOYSA-N	439.306	3.461	10	40	IGCB	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)N2CCc3ccccc32)cc1	10188414	DNZIZHDMADCTSB-HSZRJFAPSA-N	448.592	3.351	10	40	IGCB	
Cn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1C(F)(F)F	13134789	BFFAGSAKXMBHOJ-UHFFFAOYSA-N	446.410	3.340	10	40	IGCB	
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C	9135424	YIOXZJWOVJHJRS-NRFANRHFSA-N	428.964	3.388	10	40	IGCB	
O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(Cc2c(O)ccc3ccccc23)CC1	25719083	BTYPWDMEKRSCJV-UHFFFAOYSA-N	436.455	3.469	10	40	IGCB	
CNc1cc([C@@H]2CCCN(Cc3ccc4c(c3)CCCN4C)C2)nc(CN(C)C(C)=O)n1	72370163	JDXBVRMACIIOIU-OAQYLSRUSA-N	436.604	3.259	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)SC1=S	408540945	DBVASFZLLPIUEV-FRKPEAEDSA-N	442.474	3.267	10	40	IGCB	
Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1	409189451	GSCJFBADAWGIJC-CPNJWEJPSA-N	431.473	3.315	10	40	IGCB	
Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)nc1	409216181	FYQCJYSPHSDUIU-RGVLZGJSSA-N	447.470	3.468	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(OC)c1O	409248276	OWUOPIHEVRIWPM-CXUHLZMHSA-N	426.494	3.364	10	40	IGCB	
CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(I)c1O	1049986	FQHOUANNQSPNPC-UHFFFAOYSA-N	444.221	3.149	10	40	IGCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nnc2n1	16689847	FFNSLTJHEOOYBR-UHFFFAOYSA-N	440.455	3.133	10	40	IGCB	
CCOc1ncc([C@@]2(O)CCC[C@H]3CN(Cc4ccc(N(C)C)cc4)C[C@@H]32)c(OCC)n1	72343023	LWLOKSPPPIVBRW-JTJYXVOQSA-N	440.588	3.460	10	40	IGCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1	108534909	PRNNINPATXQQGI-YVLHZVERSA-N	442.518	3.298	10	40	IGCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)c1	409070840	HAELVZABGDCVHV-XWAFYUISSA-N	442.493	3.479	10	40	IGCB	
COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1	409193152	CUSRRHFSQBVYEW-CPNJWEJPSA-N	447.472	3.015	10	40	IGCB	
C[C@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S	9348811	QNYYPTPWVFQAFE-DCFZTUSPSA-N	432.592	3.058	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(I)c1	10906939	XXUNKQRYXKYQRS-UHFFFAOYSA-N	436.293	3.400	10	40	IGCB	
CN(C)c1ccc([C@H]2N=C3NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1	13638273	DWBPGVZHRQIGRE-QHCPKHFHSA-N	438.539	3.241	10	40	IGCB	
CN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)N(C)C1=O	58601467	DNWXLJYIXTXPSJ-UHFFFAOYSA-N	429.270	3.462	10	40	IGCB	
COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1OC	1834630	HWYBVFXNFVJJHL-XNTDXEJSSA-N	445.478	3.158	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)Nc1ccc(O)cc1C(=O)O	9216071	OUKFZUWFGBZRRA-VIZOYTHASA-N	432.454	3.069	10	40	IGCB	
Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1	13671260	WONVKUJSHZZJLV-IBGZPJMESA-N	429.586	3.456	10	40	IGCB	
C=CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	33458076	HVDRGUZFFSVOJP-GDNBJRDFSA-N	444.241	3.384	10	40	IGCB	
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1	61943439	NTQRMHAVZVAVFZ-MRXNPFEDSA-N	436.512	3.112	10	40	IGCB	
CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)s1	225464175	DHIPBUCQOQOJHG-UHFFFAOYSA-N	436.902	3.182	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Br)cc1F	16134667	XRTVRPHDWVZTGJ-UHFFFAOYSA-N	437.309	3.462	10	40	IGCB	
CSc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(O)n1	104090702	KPYAVRQTZSHBFX-VHXPQNKSSA-N	446.518	3.109	10	40	IGCB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C3/C(=O)NC(=O)N=C3O)cc2OC)cc1	2807471	KDHPLQZJRRBHDA-UHFFFAOYSA-N	430.800	3.166	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCCn1ccnc1	33527109	IGAMEYZRZOSIFX-PZLZUMHWSA-N	426.567	3.237	10	40	IGCB	
O=C(CN(Cc1cccs1)c1ccc2c(c1)OCCO2)NC(=O)NCc1ccco1	57642899	HDOKXGWFTVAIOC-UHFFFAOYSA-N	427.482	3.145	10	40	IGCB	
COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3Cc3ccco3)CC2)cc1	13505051	SDXWKIBNRYEYPB-QHCPKHFHSA-N	448.502	3.374	10	40	IGCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3F)C2=O)o1	33862126	HHVYIAFMGLAJOA-WQRHYEAKSA-N	427.432	3.289	10	40	IGCB	
CCN(CCO)c1ccc(N/C=C2/C(=O)N=C(S)N(c3ccccc3Cl)C2=O)cc1	103103161	OVRNYYWIUBDLND-SSZFMOIBSA-N	444.944	3.314	10	40	IGCB	
CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1OC	260572673	QAYSWADEDCTLRK-KRWDZBQOSA-N	445.585	3.160	10	40	IGCB	
CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br	408913495	VEUOZEVYWRSDOD-RIYZIHGNSA-N	432.249	3.321	10	40	IGCB	
CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)[C@H]1/N=N\c1ccc(C(=O)O)cc1	104315409	MGZMNVCGRSQUDH-XZSMOWGESA-N	441.831	3.264	10	40	IGCB	
COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C	9135443	YZTBTQBLNRPFOR-FQEVSTJZSA-N	444.963	3.089	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCCCC3)ccc21	9138406	NLZDHBXIWHJGTI-VWLOTQADSA-N	448.611	3.071	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)cc(OC)c1O	28629049	VBABINUVNUPAJM-DHDCSXOGSA-N	434.470	3.095	10	40	IGCB	
O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	31813345	ZVHQQXYKYQWLNY-UHFFFAOYSA-N	426.350	3.281	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N([C@H](C)C(=O)NCCc3ccc(O)cc3)C2=O)c1	13575046	KJTBZBJXANQMCK-RMENWYJGSA-N	442.562	3.349	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1	225517332	VAHRNBRVXQUQHX-HXUWFJFHSA-N	429.586	3.250	10	40	IGCB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N(CC)CC)cc1	225675807	HYLRDNSDHUWDAV-JOCHJYFZSA-N	447.601	3.402	10	40	IGCB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(O)cc2)C1=O	408529809	KCMVVRMTDSLFIN-XNTDXEJSSA-N	430.258	3.296	10	40	IGCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1	8820690	DSDADKYHHLJIAZ-WJDWOHSUSA-N	427.507	3.098	10	40	IGCB	
COc1ccc(CN2C(=O)/C(=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)SC2=S)cc1	12436674	XPHHRBHKALUDKF-NXVVXOECSA-N	427.463	3.327	10	40	IGCB	
CCOc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	35597261	COTOECLHOCQZGZ-QHCPKHFHSA-N	437.588	3.188	10	40	IGCB	
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccccc1Br	59139625	ZMQOPPBSZAILFH-UHFFFAOYSA-N	432.343	3.455	10	40	IGCB	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCCO2	10876746	JCHLYIJUJJWQPC-UHFFFAOYSA-N	428.396	3.273	10	40	IGCB	
CCN1C(=O)N=C(O)/C(=C\c2cn(CC(=O)NCc3cccs3)c3ccccc23)C1=O	59182403	SCJXWLGDDGXLEN-LICLKQGHSA-N	436.493	3.341	10	40	IGCB	
Cc1cc(N2CCCC2)ccc1CN1CCc2c(O)nc(N3C[C@@H](C)O[C@H](C)C3)nc2C1	72347294	UDISDRQZQVBDFC-RTBURBONSA-N	437.588	3.263	10	40	IGCB	
COC(=O)c1cc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2C)cc(C(=O)OC)c1	100136017	XAFAERJARQOODM-MOSHPQCFSA-N	437.452	3.377	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)c1C	408850644	QCBYMDYBELNENH-RIYZIHGNSA-N	444.896	3.252	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1N1CCOCC1	409221144	LNCLEECZQNGFBC-GHRIWEEISA-N	439.899	3.460	10	40	IGCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N(CCO)Cc1ccccc1	8820407	VKFADNIYLXXGIN-AADXMYGNSA-N	438.574	3.465	10	40	IGCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=N)N21	20205707	NVHCMYIDLUTEKG-KWJVRTRQSA-N	434.886	3.221	10	40	IGCB	
O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O	101101983	PJUHGQBHTGXSOL-VSKRKVRLSA-N	437.451	3.377	10	40	IGCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Br	408759228	ACLCLAIXLMFPNA-NTEUORMPSA-N	430.214	3.332	10	40	IGCB	
CCN(CCO)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	8819911	KTAYJAQRGHOJAV-SDXDJHTJSA-N	436.599	3.298	10	40	IGCB	
Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1-c1ccc2c(c1)OCO2	9633796	WZEOQWQAIHTAOY-UHFFFAOYSA-N	446.419	3.324	10	40	IGCB	
O=C(Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21)N1CCCC1	1813570	SRFUYNNMPPRRPP-XDHOZWIPSA-N	446.463	3.359	10	40	IGCB	
Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1-c1ccc(Cl)cc1	12533470	PHAXYHKLBPCEIN-UHFFFAOYSA-N	447.944	3.042	10	40	IGCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1	13073884	HVZXQGGDSDUAQD-FBKCMUNRSA-N	447.490	3.474	10	40	IGCB	
Cn1cc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c2ccccc21	13778894	UWQZSMFUAGEIRL-BOPFTXTBSA-N	429.548	3.273	10	40	IGCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OC)ccc4ccccc34)C2=O)cc1	408795230	BRKQUKVHIKBRGI-CPNJWEJPSA-N	430.416	3.301	10	40	IGCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408955257	UBEUNKHPVNOVHN-YBEGLDIGSA-N	447.359	3.250	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OC	408989232	SQSGOTWPDHSSKH-AUWJEWJLSA-N	430.844	3.341	10	40	IGCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	8820412	GJAHYWBRRGNEOG-GUSDSWBTSA-N	440.502	3.487	10	40	IGCB	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2	9259404	BBLSKVRPWXDVSO-LFYBBSHMSA-N	449.257	3.148	10	40	IGCB	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)cc1	10022413	QGUOZDMDZBLKOT-RUZDIDTESA-N	443.547	3.385	10	40	IGCB	
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1	57050793	FEQOIBJJNAZCBI-UHFFFAOYSA-N	436.512	3.032	10	40	IGCB	
Cc1ccc(CN2C(=O)/C(=C/N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)SC2=S)cc1	100789005	HWMYISNMJZMJMA-FNSOMLPHSA-N	437.590	3.478	10	40	IGCB	biogenic
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1O[C@H](C)CC	408916943	JECGFVUQIUAKLN-CEXMDJMXSA-N	441.347	3.282	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C[C@@H]1CCCO1	409205211	ORMMPLXXTNUBSZ-PYJSORCASA-N	427.501	3.254	10	40	IGCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1	100423351	YSXBZQKOPMJOGC-ZHZULCJRSA-N	428.514	3.231	10	40	IGCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	409101958	CBYDUDLHCMCJAK-ZRDIBKRKSA-N	436.251	3.089	10	40	IGCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)C(=O)NC1=S	409206933	NKUCHYNWHNVLFU-OQLLNIDSSA-N	445.566	3.206	10	40	IGCB	
CCOC(=O)Cn1cc(/C=C2\C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c2ccccc21	13748744	BSRDDAOWCHSASS-WOJGMQOQSA-N	435.411	3.214	10	40	IGCB	
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	58268701	MGXFFHGCYGDMSQ-HXUWFJFHSA-N	445.541	3.145	10	40	IGCB	
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	408827151	CLSPDNMCTWAUQB-AKGOGDBKSA-N	434.492	3.245	10	40	IGCB	
COCCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)N(c2ccccc2)C1=O	409012765	KLVCPAHYKCNZFN-WJDWOHSUSA-N	444.871	3.382	10	40	IGCB	
CCOC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1Cl	2082198	NHDCWVUXOBNSOT-WJDWOHSUSA-N	427.844	3.404	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nccn3-c3cccc(OC)c3)CC2)cc1	25743540	UUXFKHBSICFFFS-UHFFFAOYSA-N	438.553	3.330	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)cc1	408901452	YGUVDHXRLYTHKS-FYJGNVAPSA-N	442.475	3.168	10	40	IGCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1	408998387	BDOFJLJULBSISG-WQRHYEAKSA-N	426.856	3.081	10	40	IGCB	
CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3C)C1=O)OCO2	409246311	AVTSSNLBEKKSJY-NTUHNPAUSA-N	428.828	3.442	10	40	IGCB	
COc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1OC	9664080	WGBIAXGWTWJCJN-UHFFFAOYSA-N	445.427	3.275	10	40	IGCB	
CCC(=O)N1CCc2c(nc3cc([C@H]4CCCCN4Cc4ccccc4O)nn3c2O)C1	100234121	NOZUBCKSGUDUNZ-HXUWFJFHSA-N	435.528	3.162	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CN2CCN(CCO)CC2)c2ccccc12	101363266	JLZJXXVBNHJGPJ-JJIBRWJFSA-N	443.551	3.015	10	40	IGCB	
Cc1cc(S(=O)(=O)O)ccc1/N=N/c1cc(S(=O)(=O)O)c2cccc(O)c2c1O	6133712	KDPMZCPWKPCERU-VHEBQXMUSA-N	438.439	3.468	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	13576271	PARVTVQXBLQFHQ-GDNBJRDFSA-N	432.479	3.304	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1O	16349472	YZNFFIKBLIQPDY-QPEQYQDCSA-N	431.242	3.138	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)NCCCn1ccnc1	33585850	DQMFDZCJCCYJNO-LGMDPLHJSA-N	432.546	3.210	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)cc1	61997021	UNYJANFBGVUIQP-LFIKFTOSSA-N	440.584	3.102	10	40	IGCB	
COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O	9264652	SQRRMSLYVCDLPZ-DEDYPNTBSA-N	434.496	3.135	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccccc2)SC1=S	9348597	ZNMWKGWMADHUFL-RCEBRVLHSA-N	428.491	3.319	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	9468971	KHQOAWOJURMBOD-QHCPKHFHSA-N	435.436	3.066	10	40	IGCB	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(CCNS(C)(=O)=O)s1	23042812	DLZVTKWPHCFTBD-UHFFFAOYSA-N	435.615	3.102	10	40	IGCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)NCCOC)c12	409126238	HBFQPJLYRNTXEK-BOPFTXTBSA-N	431.583	3.187	10	40	IGCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCOCC1	8820017	SWOTVMHMLKQNNT-AQTBWJFISA-N	448.566	3.036	10	40	IGCB	
CC(=O)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	33864275	ICPVUHXMBYGEOQ-ZSOIEALJSA-N	435.661	3.489	10	40	IGCB	
O=c1cc(C(F)(F)F)c2ccc(O)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2o1	524730893	BFCNMZMOPIRFOC-OLZOCXBDSA-N	432.398	3.298	10	40	IGCB	biogenic
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)cc1	2198036	YSGSSPYZOLTHHH-PTNGSMBKSA-N	425.491	3.326	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C\c2ccccc2)SC1=S	9348367	MSYKHXNWFLBCFB-LKBVRNOZSA-N	428.491	3.319	10	40	IGCB	
COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3O)C2=O)cc1	102722328	GNMSAOWUQQBDTJ-FDFHNCONSA-N	444.443	3.230	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccncc1	409188577	DUJFKEUBGZQFRT-XDHOZWIPSA-N	446.488	3.019	10	40	IGCB	
COc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc(OC)c1OC	8963210	JDSWGNIVEAFULJ-NRFANRHFSA-N	439.556	3.272	10	40	IGCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc2c(c1)OCO2	33489205	IEJMBLMQPUDTLI-ODLFYWEKSA-N	444.443	3.464	10	40	IGCB	
Cc1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	408660154	KZMXZNWKUHPLRJ-BDTNDASRSA-N	446.503	3.039	10	40	IGCB	
CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)cc2)CC1	58159220	APCDOGBUSPZIGW-UHFFFAOYSA-N	441.597	3.420	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OCc1ccccc1	409245029	MJFUAEIVTXMSID-XDHOZWIPSA-N	429.432	3.336	10	40	IGCB	
CN(C)c1ccc(/C=C2\C(=N)N3C(=NC2=O)Sc2cc(S(C)(=O)=O)ccc23)cc1	6110607	UZICYWUMUSGQIA-HWCWCTJWSA-N	426.523	3.025	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2cccc3c2OCO3)SC1=S)Nc1cccc(O)c1	8820680	VOQRZBAKODCKRH-CXUHLZMHSA-N	428.491	3.351	10	40	IGCB	
COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(OC)c(OC)c1)CO3	9060638	QCYQRZGNAFWGFX-UHFFFAOYSA-N	425.437	3.191	10	40	IGCB	
CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3cccc4ccccc34)C(=O)N=C2S1	41085290	WNKLWQXKECVYLG-QNMDCZIWSA-N	426.523	3.487	10	40	IGCB	
COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1	1835180	BBNNBZMGFZMTEW-MHWRWJLKSA-N	445.478	3.158	10	40	IGCB	
CN1C(=O)C(=CNc2cc3c(cc2Br)-c2ccccc2C3=O)C(=O)N(C)C1=O	12139506	UMDAKSGCSRQRKO-UHFFFAOYSA-N	440.253	3.007	10	40	IGCB	
C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)O	59678294	LACJNFGLGQXQIO-HPUUJOOBSA-N	430.869	3.023	10	40	IGCB	
COc1ccc(OC)c(-c2cc3ccc(O)c(CN4CCC[C@H](C(=O)O)C4)c3oc2=O)c1	94993374	BXRUOTGNUPNFLC-HNNXBMFYSA-N	439.464	3.479	10	40	IGCB	
Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C(=O)NC1=S	2399539	NZZMKBBUWMSSOR-QGOAFFKASA-N	431.473	3.315	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC(C)=O	33762015	UPMGIHUMWVRZFM-DHDCSXOGSA-N	445.269	3.235	10	40	IGCB	
O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409239360	POVFJOJBHTWOKQ-DHDCSXOGSA-N	437.795	3.360	10	40	IGCB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1Cl	409263339	MEOFJIJXUPILQY-UHFFFAOYSA-N	448.262	3.069	10	40	IGCB	
CCC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)[nH]c2ccccc12	2405937	RUGVLYHYXUHCLY-JXAWBTAJSA-N	446.532	3.068	10	40	IGCB	
Cc1cccc(C)c1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O	13613796	MNSLQVHNILTYCL-UHFFFAOYSA-N	429.586	3.376	10	40	IGCB	
CN(C)c1ccc(CN(CCCn2ccnc2)Cc2ccc3c(c2)n(C)c(=O)n3C)cc1	13991181	FAZJMSJIDMWVRD-UHFFFAOYSA-N	432.572	3.232	10	40	IGCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC	59167723	SDMYZSFZTZZFBK-LFYBBSHMSA-N	432.317	3.142	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccc(F)c4)o3)CC2)cc1	928218	DJJUFHRWHLGJFF-UHFFFAOYSA-N	428.489	3.325	10	40	IGCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12	8770063	SZOJRRCUUWFJAR-SUNVMROUSA-N	428.583	3.316	10	40	IGCB	
CN1C(=O)NC(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)C1=O	9311139	QMRVMDUHGBIMQJ-MLPAPPSSSA-N	449.246	3.362	10	40	IGCB	
Cc1cc(/C=C2/C(=O)N=C(O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccnc1	13800892	KCNGGPJSOGQYIP-NVMNQCDNSA-N	430.420	3.089	10	40	IGCB	
C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O	224938295	JJSZYTHVJVBRDJ-OAHLLOKOSA-N	437.512	3.036	10	40	IGCB	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O	2370069	ZIWCQNDDVSZQNH-QINSGFPZSA-N	432.571	3.143	10	40	IGCB	
COc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)(C)C)c1O	10233940	GQLZAWCEGTWKGG-SFHVURJKSA-N	445.541	3.496	10	40	IGCB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	4088962	AADFPGDAPCFCEB-DXIQSLLYSA-N	441.509	3.442	10	40	IGCB	
CCOC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O	8445679	KXMHZBSZRYRGJF-QGOAFFKASA-N	447.447	3.410	10	40	IGCB	
Cc1cc(C)c(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c(C)c1	9463311	VCXZUUPTIJZFJZ-QFIPXVFZSA-N	444.597	3.273	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)NC2=S)cc1C	409128747	GQTPZJWQBALYJV-LDADJPATSA-N	439.512	3.110	10	40	IGCB	
CN(C)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1	6160718	OPRNKVGFEOBUFJ-ZQIUZPCESA-N	429.489	3.083	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1	408740510	LEYKLYNSRWBHCK-NTEUORMPSA-N	431.242	3.220	10	40	IGCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)C1=O	408754867	ABTWIBFXISJODE-XDHOZWIPSA-N	445.435	3.372	10	40	IGCB	
CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(Cl)cc3)C1=O)OCO2	409095303	ARGPPKZMRMFMEK-AUWJEWJLSA-N	430.869	3.299	10	40	IGCB	
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1	8824253	AONYVZGROXYABH-UHFFFAOYSA-N	427.412	3.205	10	40	IGCB	
O=C(O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1Br	8914328	YMVYXJLYTZQKBH-MDWZMJQESA-N	445.225	3.419	10	40	IGCB	
O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NCCc1ccc(O)c(O)c1	16021892	RQTZRJSXYHARNE-YVLHZVERSA-N	432.885	3.146	10	40	IGCB	
COc1cc(N2CCOCC2)ccc1CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1	19549987	KKZKFVJWGNFKBA-JYFHCDHNSA-N	435.568	3.170	10	40	IGCB	
Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@@H]2c1ccc(O)c(O)c1	104280049	LFDVAWHFPIZHNQ-QHCPKHFHSA-N	445.523	3.246	10	40	IGCB	
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)SC1=S	409377240	GWQYLRZUDDSONJ-WTKPLQERSA-N	436.252	3.126	10	40	IGCB	
COc1ccc2c3c(n(CC(=O)NCc4ccco4)c(=O)c2c1OC)-c1ccccc1C3=O	604406283	BDAJFCYJERNBHF-UHFFFAOYSA-N	444.443	3.140	10	40	IGCB	biogenic
O=C1N=C(O)N(c2cccc(Cl)c2)C(=O)/C1=C\NNc1ccc(Br)cc1	16398888	WJHHAIAJQSKUMH-ZROIWOOFSA-N	435.665	3.390	10	40	IGCB	
CN1CCN(C(=O)CCN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)CC1	19618531	BVQFVWILTMYLKY-PTNGSMBKSA-N	444.409	3.359	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N(C)C)ccc21	8964009	QRTXKGLDGBJDRZ-LJQANCHMSA-N	434.462	3.055	10	40	IGCB	
c1cc2c(cc1N1CCC(N3CCCN(c4ccc5c(c4)OCCO5)CC3)CC1)OCO2	12143891	VLVMBGQESQXVHO-UHFFFAOYSA-N	437.540	3.368	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)NCCc3ccc(O)cc3)C2=O)cc1	13572822	SSYIEPCZWYASRH-RMENWYJGSA-N	442.562	3.349	10	40	IGCB	
COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc4c(c3)OCO4)c3ccco3)CC2)cc1	56946261	OSLCDANVRRUXPZ-NRFANRHFSA-N	449.507	3.310	10	40	IGCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1ccccc1Br	408864873	AUSYDTAEOISNFF-UHFFFAOYSA-N	429.270	3.188	10	40	IGCB	
CCOc1cccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3O)C(=O)NC2=S)c1	16678427	YOOYRXVCYKFAGL-UNOMPAQXSA-N	439.537	3.468	10	40	IGCB	
CCCCN1C(=O)/C(=C\c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S	102823203	IEANAUUOQYHVAK-RGHBXIHOSA-N	444.582	3.287	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)C(=O)O	107632859	TZKPRYKAOUQXKZ-ZENNRRHLSA-N	430.844	3.052	10	40	IGCB	
CCCCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OC	13426870	IKTKGLKLMCNYQZ-RQNDZEIBSA-N	441.596	3.262	10	40	IGCB	
O=C(NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1[N+](=O)[O-]	33657320	ZVTWYJVNZABIMP-NTEUORMPSA-N	430.423	3.049	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1C(=O)O	9044224	PLLYOXQTBMPRDI-SXGWCWSVSA-N	446.481	3.460	10	40	IGCB	
CCN(CC)c1ccc(CN(C(=O)c2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1	9281484	ZENOIAIMKCOBCD-NRFANRHFSA-N	430.570	3.371	10	40	IGCB	
CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc(N3CCCC3)cc1)C2	19707312	YDSPOXRQXJVSGD-QHCPKHFHSA-N	434.588	3.360	10	40	IGCB	
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1	22666014	DCYUYUSLIBKNGH-DEOSSOPVSA-N	439.581	3.258	10	40	IGCB	
COc1ccc2c(/C=C3\SC(=S)N([C@H](C(=O)O)C(C)C)C3=O)c(C(=O)O)[nH]c2c1	256055640	OEZOBSKLHAUGSJ-QLBUUCPGSA-N	434.495	3.185	10	40	IGCB	
CCN(CC)C(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1	408529427	JNQVTOLDBQCJLI-XMHGGMMESA-N	434.496	3.364	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Cc1cccc(F)c1	408873787	VTPABRBKGVONML-UHFFFAOYSA-N	449.301	3.102	10	40	IGCB	
NC(=O)COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	409225773	OTAOPDBETHLJSU-UHFFFAOYSA-N	441.443	3.134	10	40	IGCB	
COc1cccc(N2C(=O)/C(=C\[C@@H]3C(=O)N(c4ccccc4)N=C3C)C(O)=NC2=S)c1	32116794	JOCWMKFICHTULF-KMTKGMGQSA-N	434.477	3.249	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CN3CCN(c4cc(Cl)ccc4C)CC3)CC2)cc1	57711545	VGFZTOHDNMRCEQ-UHFFFAOYSA-N	442.991	3.128	10	40	IGCB	
CCN1c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc2C(=O)N2CCCC[C@@H]21	97944078	MKKGSDHQGTVTJO-XMMPIXPASA-N	448.567	3.450	10	40	IGCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\NNc3ccccc3C)C2=O)c(C)cc1Br	408534233	PTRNJCBDZGWJIL-GXDHUFHOSA-N	443.301	3.458	10	40	IGCB	
CCn1c(=O)n(CC)c2cc(N/C=C3/C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)ccc21	408536264	VOGCYHAHZBKPOA-LGMDPLHJSA-N	447.495	3.038	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1	9311647	KKTUOZPCFGNQEV-VGOFMYFVSA-N	434.876	3.323	10	40	IGCB	
COc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)(C)C)c1O	10233941	GQLZAWCEGTWKGG-GOSISDBHSA-N	445.541	3.496	10	40	IGCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	13551718	KWGMRAKEVZEMIX-MHWRWJLKSA-N	446.371	3.040	10	40	IGCB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccc4ccccc34)C(=N)N21	20207002	WMBSUDOYELFHIV-QNMDCZIWSA-N	426.523	3.487	10	40	IGCB	
CCOc1cc2c(cc1/C=C1/C(=O)N(c3ccc(OC)cc3)C(=S)N=C1O)OCO2	96476717	NZOWUNRCEUOFAZ-OVCLIPMQSA-N	426.450	3.494	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc(Cl)c1OC	96930806	MAOCXLXILRJJOC-FOWTUZBSSA-N	442.990	3.281	10	40	IGCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc2c(c1)OCO2	223581795	RJIQGYQIOXACRZ-FCHUYYIVSA-N	436.537	3.183	10	40	IGCB	
Cc1ccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1C	408810998	QJDLNFIRHYPNPN-UHFFFAOYSA-N	429.270	3.394	10	40	IGCB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	13805701	VDEZKUQXZXNLAT-NJDAHSKKSA-N	447.403	3.057	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1C(=O)O	33589091	PLLYOXQTBMPRDI-CXUHLZMHSA-N	446.481	3.460	10	40	IGCB	
CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	408551658	OXSOCWZSWJUVFZ-ZROIWOOFSA-N	432.864	3.181	10	40	IGCB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)NC1CC1	409146100	JHBKFYWAMZTIRW-DZGUVLCISA-N	441.578	3.300	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1	100792483	AUJDRCSKUAOYTQ-NBVRZTHBSA-N	438.915	3.061	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1	225543434	WAFWXNCNISNAIN-IBGZPJMESA-N	447.576	3.389	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CN(C)Cc3c(C)nn(-c4ccccc4)c3C)CC2)cc1	32543855	IEVIWPCIFYXRSS-UHFFFAOYSA-N	447.583	3.278	10	40	IGCB	
COc1ccc(N2CCN(Cc3nc(N)nc(NCc4ccc(Cl)cc4)n3)CC2)cc1	72470724	XJWYBRCOAOMXAI-UHFFFAOYSA-N	439.951	3.050	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)NC2=S)c1	409187342	PDECBJGWOZBLPP-XDHOZWIPSA-N	438.505	3.157	10	40	IGCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	409399701	LXMRYNPQXRTXSA-ZSOIEALJSA-N	435.263	3.397	10	40	IGCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S	51330785	CHYVVHRXBWZFDI-PXNMLYILSA-N	446.506	3.103	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3c(OC)cc(OC)cc3OC)C(O)=NC2=S)cc1	1252229	NALIMJDQKPSAIJ-LFIBNONCSA-N	428.466	3.393	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2cccs2)SC1=S	9253437	CGHQUUJPXUWEJW-JNNKLVPLSA-N	434.520	3.380	10	40	IGCB	
CN(CCc1ccccc1)c1ccc2c(c1)CN1CCC[C@@H](C1)C(=O)NCCOCCO2	643572582	ZOJRMMVROIINMR-QFIPXVFZSA-N	437.584	3.103	10	40	IGCB	
COc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	12585614	HJUVRLZGJHHWBX-UHFFFAOYSA-N	445.585	3.013	10	40	IGCB	
COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1	13503989	SFQBZLVJRFZCJE-QFIPXVFZSA-N	436.560	3.357	10	40	IGCB	
CN1CCN(C2=NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)CC1	23109668	UDIGZAXCMGKMGJ-XSFVSMFZSA-N	438.509	3.392	10	40	IGCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)c1	409070836	HAELVZABGDCVHV-BGARDKSCSA-N	442.493	3.479	10	40	IGCB	
COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	1096998	LRYKOCZQMFFIEX-WJDWOHSUSA-N	426.856	3.318	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1	9253505	AHWZLPBTGLQRRB-VVZNPABPSA-N	434.583	3.050	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Br)cc1O	12630213	BMCSETFDYOVWPL-KPKJPENVSA-N	447.310	3.303	10	40	IGCB	
Cc1nc([C@@H]2CCCCN2Cc2ccc(N3CCOCC3)c(F)c2)ncc1C(=O)N(C)C	19765688	LPNGASYFMNPELM-QFIPXVFZSA-N	441.551	3.190	10	40	IGCB	
C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1	260845731	XGSSUILPRWXDAF-MOPGFXCFSA-N	429.586	3.421	10	40	IGCB	
Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)N(C)C	4830755	PXIZMZHPYKMSMD-UHFFFAOYSA-N	436.489	3.470	10	40	IGCB	
COc1ccc(N2CCN(C(=S)NC(=O)Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1	14269047	HWAHIJRMRHJVNT-UHFFFAOYSA-N	448.932	3.023	10	40	IGCB	
CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2=O	23673671	FLIKUNJWPVYPDS-UHFFFAOYSA-N	426.561	3.136	10	40	IGCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC	408794637	ADQPLNSONXCBAQ-GZTJUZNOSA-N	439.424	3.449	10	40	IGCB	
CC(=O)NC1=NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)S1	409087103	APLUWNHWNDFUSS-YBEGLDIGSA-N	436.898	3.214	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c1	9260427	RKPDHNMMQZBGGG-UYRXBGFRSA-N	431.473	3.315	10	40	IGCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1cccc(F)c1	59139303	QITYQDPACRYXPV-UHFFFAOYSA-N	428.485	3.402	10	40	IGCB	
Cc1cc(=O)oc2c(CN3CCCc4cc(S(=O)(=O)N(C)C)ccc43)c(O)ccc12	84072623	LIJXVDXDFZMXLU-UHFFFAOYSA-N	428.510	3.010	10	40	IGCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C(=O)N(CC)CC)cc2)C1=O	408527145	CUPSLYOWRHTMOL-XDJHFCHBSA-N	434.496	3.310	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)c(C)n1-c1ccc2c(c1)OCO2	3462987	SIDUQRGWAAKLHH-HSZRJFAPSA-N	425.485	3.362	10	40	IGCB	aggregator
CCOc1cc2c(cc1/C=C1\SC(=S)N(CCCN3CCOCC3)C1=O)O[C@H](C)C2	14197173	CHKBWGAKHFKWTP-KWPCUBQOSA-N	448.610	3.332	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1	33026414	CBUGQVJXDJPBMU-UHFFFAOYSA-N	432.524	3.299	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)NC2=S)c1	408765125	WPMMWRJMBMFPOF-XYOKQWHBSA-N	438.246	3.024	10	40	IGCB	
CCOC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	14011004	NXHITXBJDVBEIN-MHWRWJLKSA-N	442.855	3.257	10	40	IGCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C(=O)NC2=S)c1	96258758	KHZMDDHEBQSUEZ-VCHYOVAHSA-N	433.489	3.174	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	222586898	GOBVXJLUTATWRP-KRWDZBQOSA-N	433.574	3.012	10	40	IGCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1O	408819407	QRAZTQWLKFDDRL-RIYZIHGNSA-N	447.310	3.303	10	40	IGCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1	409222243	WIUCFUSEOKWOBK-LFIBNONCSA-N	426.494	3.161	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)c(C)n1-c1ccc2c(c1)OCO2	3462982	SIDUQRGWAAKLHH-QHCPKHFHSA-N	425.485	3.362	10	40	IGCB	aggregator
CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C(=O)NC1=S	9322209	DXOGNJOHHXYBDB-MDWZMJQESA-N	449.301	3.424	10	40	IGCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)cc1	57416604	YJNCWWMXRISTJK-OAHLLOKOSA-N	431.895	3.189	10	40	IGCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	107563257	JVEOIRNFBFFHRO-XDHOZWIPSA-N	447.403	3.429	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1	225678804	JEWWBARARDEEAC-UHFFFAOYSA-N	447.601	3.402	10	40	IGCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br	409235958	QVFICAYLOAYJBC-RIYZIHGNSA-N	430.258	3.298	10	40	IGCB	
O=C(OCC(=O)N1CCc2ccccc2C1)c1cccc2c1C(=O)c1ccccc1C2=O	9597079	LMUNHGDTUFUOSD-UHFFFAOYSA-N	425.440	3.204	10	40	IGCB	
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1F	13008016	CYUTZAJGDSDWQT-HSZRJFAPSA-N	438.547	3.408	10	40	IGCB	
CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1	225704767	QNLLURIAAHEVIE-UHFFFAOYSA-N	447.626	3.336	10	40	IGCB	
COc1ccc(N2CCN([C@H](c3ccco3)c3sc4nc(C)nn4c3O)CC2)cc1	4035031	ORKFRHVYXOHLKH-GOSISDBHSA-N	425.514	3.318	10	40	IGCB	
CCCC[C@@H](CC)COCCCN/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	6635842	METDVBGCJZJYDU-FABDANFUSA-N	431.533	3.375	10	40	IGCB	
COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c2C)cc1	12516862	IADFXGTYJJDIDJ-JOCHJYFZSA-N	431.492	3.449	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	13573089	XHDOGGIVKHBVDH-SYEOYNTFSA-N	446.481	3.458	10	40	IGCB	
O=c1nc(-c2ccncc2)[nH]c2c1CCN(Cc1ccc(O)c(CN3CCCCC3)c1)C2	19292978	IFOXYEHMCFRKPC-UHFFFAOYSA-N	431.540	3.082	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1cc(C)cc(C)c1	408870353	VXPPWWIATBOXAB-UHFFFAOYSA-N	443.297	3.415	10	40	IGCB	
COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C	9135442	YZTBTQBLNRPFOR-HXUWFJFHSA-N	444.963	3.089	10	40	IGCB	
COc1ccccc1/C=C1/SC(=S)N([C@@H](C)C(=O)N2CCCC[C@@H]2CCO)C1=O	9348435	KNTRSLZAJPENST-VGWVCOAVSA-N	434.583	3.048	10	40	IGCB	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)CC2)cc1	9716635	OFYWNCDLEXFFHW-NRFANRHFSA-N	429.948	3.452	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S	13569293	DMQVJQPVJQMVTQ-LYQMGENXSA-N	446.481	3.458	10	40	IGCB	
CCC(=O)NCCc1c(/C=C2/C(=O)N=C(O)N(c3ccccc3)C2=O)[nH]c2ccccc12	17195523	VOHXLBIVNLAJRH-JXAWBTAJSA-N	430.464	3.107	10	40	IGCB	
O=C1N=C(N2CCN(CCO)CC2)S/C1=C/c1cn(Cc2ccccc2)c2ccccc12	20590419	PVRYLVJATWSIHT-XQNSMLJCSA-N	446.576	3.270	10	40	IGCB	
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2)C[C@@H](C)O1	40146366	IYPZXKZTUNHTJW-QZTJIDSGSA-N	443.569	3.337	10	40	IGCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(C)C3=O)c2C)cc1	409145194	NIEHHHBYQNPMDY-UYRXBGFRSA-N	439.537	3.308	10	40	IGCB	
CCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S	1103755	GQQOGNMSBNOBKK-DHDCSXOGSA-N	426.523	3.429	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)N3CCCC[C@@H]3CCO)C2=O)cc1	9348129	AXNPEGHUKSQKDW-JMFFAQHDSA-N	434.583	3.048	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1nc2ccccc2c(=O)[nH]1	20220044	RQJWPHPRBJJZNQ-YVLHZVERSA-N	439.518	3.342	10	40	IGCB	
COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc(N(C)C)cc3)C2)c1	95532119	LMWSTWCRFSUKLP-OAQYLSRUSA-N	425.485	3.312	10	40	IGCB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O	409245600	WITRNBVSJHGLLJ-DEDYPNTBSA-N	445.479	3.029	10	40	IGCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2C)cc1	13148701	PWLHSHQZIWKQGL-SFTDATJTSA-N	448.519	3.470	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1OC	27530611	VAXOTHKWKQQTMU-LICLKQGHSA-N	430.507	3.249	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	100195315	QHKWERGKKORRBD-FEEIMYBTSA-N	438.896	3.053	10	40	IGCB	
CCN(CC)c1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1	225190101	GINSUMVVGYFOLC-UHFFFAOYSA-N	445.570	3.115	10	40	IGCB	
COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21	408777060	VASXLOSDCUUJST-WOJGMQOQSA-N	447.516	3.262	10	40	IGCB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc(Br)c1OC	409202298	QXTDBPJDDHWACF-GHXNOFRVSA-N	446.344	3.231	10	40	IGCB	
CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccco2)[C@H](c2ccccc2O)C1	9060540	RDYDTYWXKKOADS-SFHVURJKSA-N	425.466	3.348	10	40	IGCB	
CCOC(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1	15024861	FQPOMNHWJNAQCC-UHFFFAOYSA-N	426.513	3.323	10	40	IGCB	
C[C@H](C(=O)N1CCCC[C@@H]1C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	33536899	GQBHOXAXOWXNQF-IHIBIECDSA-N	438.958	3.395	10	40	IGCB	
O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(CC(=O)N2CCCCC2)CC1	36386387	BTKBRTDRSOCGTD-JLHYYAGUSA-N	438.616	3.237	10	40	IGCB	
COc1ccc2nc(/C=C3\SC(=S)N(CCCN4CCOCC4)C3=O)ccc2c1	102732251	PLHFTSCRPKYVAV-RGEXLXHISA-N	429.567	3.167	10	40	IGCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cccc(C(=O)O)c3)C2=O)ccc1Br	408531770	LNWVQFWTDQEEAO-NTEUORMPSA-N	444.241	3.035	10	40	IGCB	
Cc1cc(C(=O)O)ccc1N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O	408552765	VDFYIMNXUYOUDO-WQLSENKSSA-N	433.848	3.229	10	40	IGCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)NCC1(N2CCOCC2)CCCCC1	32745483	IELPOXLRRWLZQC-UHFFFAOYSA-N	428.602	3.331	10	40	IGCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccccc1F	59139304	CIJWENJXKXPMSC-UHFFFAOYSA-N	428.485	3.402	10	40	IGCB	
CC1CCN(c2ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c3ccccc3)cc2)CC1	223393840	OOJXYRZVQKDZNH-IBGZPJMESA-N	429.586	3.421	10	40	IGCB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCCC4)cc3)C2)s1	32914679	KBDJLYPTDXCZGM-IBGZPJMESA-N	447.626	3.374	10	40	IGCB	
CCOc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)sc2c1	408535866	UFYCBBROGUWNLO-RVDMUPIBSA-N	436.493	3.891	10	40	IGCB	
CCN(CC)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)cc1	6144505	XCUBUHGHBHQVCH-QKLQHJQFSA-N	436.434	3.032	10	40	IGCB	
COc1cc(/C=C2\SC(N3CCCC3)=NC2=O)cc(I)c1O	9426228	BCOSMWRZZSCZOD-WQLSENKSSA-N	430.267	3.072	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1O	33556318	XRZAYMGEHGHAKW-YRNVUSSQSA-N	432.317	3.229	10	40	IGCB	
COC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	107888435	KPPSAHHYVOKTMM-KSSSLANASA-N	435.263	3.395	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)cc1	409100210	UMJHFSQSSIMQCR-CPNJWEJPSA-N	447.472	3.015	10	40	IGCB	
CSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)Nc1ccccc1-2	3207969	GJFLFWITAHBQBW-OAHLLOKOSA-N	428.386	3.286	10	40	IGCB	
O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1	225088280	ANKLMNMACJOGQJ-UHFFFAOYSA-N	434.473	3.372	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)CC	408536106	PSQRSBXGUAWWKY-BOPFTXTBSA-N	438.436	3.076	10	40	IGCB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O	409227882	SKEKNRZFWUHKBH-UDWIEESQSA-N	445.479	3.029	10	40	IGCB	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc([N+](=O)[O-])c1	9097007	NUBWPAGYYHJIEM-UHFFFAOYSA-N	430.372	3.166	10	40	IGCB	
CC[C@H](C)Oc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC	9259380	OSKVLBFGRDRNKB-JTQLQIEISA-N	441.347	3.234	10	40	IGCB	
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1	22666009	DCYUYUSLIBKNGH-XMMPIXPASA-N	439.581	3.258	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2ccc(N(C)C)cc2)CC1	23080553	DGHYIMVFDAHAEG-NRFANRHFSA-N	445.405	3.234	10	40	IGCB	
CN1C(=O)C(=Cc2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N(C)C1=S	1095226	VDHYZURVGMEFIR-UHFFFAOYSA-N	434.477	3.197	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1	1824101	NDIZSXKXYRQMAU-SXGWCWSVSA-N	445.478	3.158	10	40	IGCB	
COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O	2367153	CJJMZYPJTNKDAI-PTNGSMBKSA-N	425.491	3.326	10	40	IGCB	
COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)cc1	8856489	GNMSAOWUQQBDTJ-FSSWDIPSSA-N	444.443	3.230	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1	12285273	WHEFEFUMVWHXGV-UHFFFAOYSA-N	446.912	3.029	10	40	IGCB	
COc1ccc(Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nc3[nH]ncc23)cc1	23136013	CYLREEKBHYVZJE-UHFFFAOYSA-N	431.500	3.440	10	40	IGCB	
N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12	41084521	VLMDKIJKDPVSDO-FBIWUZAXSA-N	447.520	3.174	10	40	IGCB	
O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(/N=N\c2ccccc2)cc1	101090867	ZYZXZOBBYROGMO-UMQBKLLPSA-N	439.516	3.196	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)[C@@H]4CCCC4=Nc4ccccc43)CC2)cc1	101945665	XZZAJHJSVXEHSQ-HXUWFJFHSA-N	432.524	3.263	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)SC1=S	408724127	FWSOMUMAOJMWNO-OQLLNIDSSA-N	444.446	3.100	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)cc1	408788451	DDSHHKCPBLPCRR-UDWIEESQSA-N	432.505	3.329	10	40	IGCB	
COc1ccc(N2CCN(C3=N[C@@H]([C@H]4CC=CCC4)n4c(nc(C)cc4=O)N3)CC2)cc1	9265078	WDTRXVMVCRYSRY-PGRDOPGGSA-N	434.544	3.019	10	40	IGCB	
CC(C)[C@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S	13575268	ROZSAQRUGNDIAV-DQGNKVGRSA-N	444.578	3.225	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S	9252627	DMQVJQPVJQMVTQ-MDKXCRPYSA-N	446.481	3.458	10	40	IGCB	
O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1C[C@@H]1CCCO1	9296262	HKPUMEMFLZQLBL-BNDQCTAISA-N	447.319	3.377	10	40	IGCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCCOC(C)C	18222339	JBSNQXBNMGQNSS-RGEXLXHISA-N	430.530	3.241	10	40	IGCB	
COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1	32841718	YELARPHUDMGDEE-UHFFFAOYSA-N	433.556	3.197	10	40	IGCB	
Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2C)cc1	3483615	BJXFQVBLOPRSTB-UHFFFAOYSA-N	449.507	3.137	10	40	IGCB	
O=C(O)CSc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2c1O	6142956	NDBSDAMBGDKOBZ-UHFFFAOYSA-N	434.451	3.431	10	40	IGCB	
O=C1/C(=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC(=S)N1c1ccccc1	13689592	ZHHGGJKJOGAXJD-XSFVSMFZSA-N	439.562	3.439	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Br)N3CCOCC3)ccc21	22733454	YDFQIMJEXKZIHD-OAQYLSRUSA-N	444.373	3.245	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)SC1=S	33502142	VNHMFYPLQJVNDD-MFOYZWKCSA-N	436.518	3.279	10	40	IGCB	
CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1	59136015	HNGKQEXAMOQNJD-RVDMUPIBSA-N	428.441	3.439	10	40	IGCB	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1	95939667	GGMWQBAMXZDDLY-BVBGJJFLSA-N	449.887	3.072	10	40	IGCB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc2c(c1)OCO2	33489206	IEJMBLMQPUDTLI-YBFXNURJSA-N	444.443	3.464	10	40	IGCB	
O=C1C[C@H](c2ccc(O)cc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96222200	IIUWPMBVLWMVKF-CYBMUJFWSA-N	448.383	3.429	10	40	IGCB	biogenic
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C(=O)NC1=S	408915817	ZMURHNSLIRYZFP-NTEUORMPSA-N	449.301	3.424	10	40	IGCB	
COc1ccc(N2CCN(C3=N[C@@H]([C@@H]4CC=CCC4)n4c(nc(C)cc4=O)N3)CC2)cc1	9265083	WDTRXVMVCRYSRY-XMSQKQJNSA-N	434.544	3.019	10	40	IGCB	
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	408536440	RJEKCSFBPSETBQ-LCYFTJDESA-N	447.216	3.180	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@]45[C@H]3CC[C@@H](C)[C@@H]4CC[C@@]3(C)O[C@H]35)CC2)cc1	61997605	BALNINAJAHCEHC-HQFNZAIZSA-N	440.584	3.343	10	40	IGCB	biogenic
CN1C(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N(C)C1=S	6287822	OPOUIYMRZAOJDH-UHFFFAOYSA-N	437.496	3.458	10	40	IGCB	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S	9547480	ACPBFURBTDCBJT-OXBCTQFSSA-N	436.898	3.407	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N(C)C)ccc21	13008655	TYACXBHTQQGOLK-HXUWFJFHSA-N	448.489	3.445	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	28330192	KHZGGULMJCWLCE-LJQANCHMSA-N	445.560	3.143	10	40	IGCB	
Cc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c(C)n1-c1ccc2c(c1)OCCO2	29167557	BPVRTUSSQDLUEZ-UHFFFAOYSA-N	441.509	3.489	10	40	IGCB	
O=C(CN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O)Nc1ccccc1F	9323887	CLAOKWGSORIBLQ-WOJGMQOQSA-N	449.394	3.315	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/C=C\c2ccco2)SC1=S)NCCc1ccc(O)cc1	33584090	XKXDIAIBJSVNMB-FWJNDEMKSA-N	428.535	3.492	10	40	IGCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1	409105844	LHSDJGXKMLPDPC-LDADJPATSA-N	435.823	3.495	10	40	IGCB	
O=C1N=C(O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N1c1ccc(Cl)cc1	83327252	SCOILSPYXIALED-WUXMJOGZSA-N	432.732	3.369	10	40	IGCB	
COc1cccc(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1	223213017	LUKQHCRJLBSPNS-UHFFFAOYSA-N	445.585	3.158	10	40	IGCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)c1C	409138537	DJBYRGSUWOBLSA-RQZCQDPDSA-N	428.466	3.310	10	40	IGCB	
Cc1cc(C(=O)[C@H](C)OC(=O)C2=NNC(=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1	8671417	NJEHEIBYRBXDAQ-ZDUSSCGKSA-N	433.411	3.076	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)cc1C	20479840	CRTIKYSSKDQUGQ-JCMHNJIXSA-N	432.524	3.024	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1O	9056467	CEYHZGUFDKHRDJ-RIYZIHGNSA-N	431.242	3.220	10	40	IGCB	
CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc12	9410321	QAGOPSCPXVPPPI-UHFFFAOYSA-N	436.508	3.400	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CCc3csc(NC(=O)c4ccco4)n3)CC2)cc1	11796779	UZPXJSWTJFIFDD-UHFFFAOYSA-N	440.525	3.278	10	40	IGCB	
CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)NCCCOC)c12	409123347	GJXIWWONMMQGKV-BOPFTXTBSA-N	431.583	3.187	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1O	665225	OTNRQFCLIBVRPV-VGOFMYFVSA-N	445.269	3.447	10	40	IGCB	
COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](c3ccccc3O)CC4=O)CC2)cc1	9060707	VLFILELVRMQYDQ-KRWDZBQOSA-N	430.508	3.430	10	40	IGCB	
COC(=O)Cc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1	9157911	ZFUBPZZPHLSRGS-UHFFFAOYSA-N	429.473	3.007	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1	224017458	CYYJEYPWNWRIEV-UHFFFAOYSA-N	446.617	3.079	10	40	IGCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(OC)ccc3OC)C2=O)c1	408851428	ZHTATIVDHKEYKR-SFQUDFHCSA-N	440.452	3.168	10	40	IGCB	
Cc1ccc2nc(NCCc3ccccc3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1	1790129	WYHBWEAFHWAMFD-ATVHPVEESA-N	436.562	3.489	10	40	IGCB	
COc1ccc(N2CCN(C3=N[C@H]([C@@H]4CC=CCC4)n4c(nc(C)cc4=O)N3)CC2)cc1	9265081	WDTRXVMVCRYSRY-GCJKJVERSA-N	434.544	3.019	10	40	IGCB	
CCOC(=O)c1c(C)sc(-c2c(-c3ccc(F)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O	12413798	FEAJWXXUCUIVPY-UHFFFAOYSA-N	443.456	3.280	10	40	IGCB	
COc1cc(OC)cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1	48988430	FMHZRQZCVZWLKE-UHFFFAOYSA-N	428.510	3.483	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1	224598768	BPZHKYCJNLIRGA-SFHVURJKSA-N	435.615	3.311	10	40	IGCB	
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	408804742	HBIJSYUVTZAXEY-OQLLNIDSSA-N	430.844	3.422	10	40	IGCB	
Cc1cc(-c2csc(NC(=O)CN3C(=O)NC(C)(C)C3=O)n2)c(C)n1-c1ccccc1	9349253	LRTMKGBVIZMMJE-UHFFFAOYSA-N	437.525	3.487	10	40	IGCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC	13343721	MSMMNUSQYBNHKQ-WDZFZDKYSA-N	432.317	3.142	10	40	IGCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)n1-c1ccccc1	223163673	OQMWSQPZCPTSEE-DNQXCXABSA-N	447.608	3.485	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)C(=O)NC1=S	409168714	RUEUNBQVGZRCQD-NTCAYCPXSA-N	426.494	3.322	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)O	409329784	HYNUKBOUKOPOEB-PXNMLYILSA-N	446.462	3.473	10	40	IGCB	
CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc(N3CCCC3)cc1)C2	19707313	YDSPOXRQXJVSGD-HSZRJFAPSA-N	434.588	3.360	10	40	IGCB	
CN1CCN(c2ccc(CNC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)cc2)CC1	225520001	OXWVWRCKKYLLSL-MOHJPFBDSA-N	444.535	3.119	10	40	IGCB	
CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(N[C@@H]3C(C)C)C(=O)c3ccccc3C2=O)cc1	101057369	AGMQOTOFXQLJCG-PWRODBHTSA-N	446.503	3.027	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)cc1	409198336	CUQUGLJHSBGGKX-TTYLXTBDSA-N	437.496	3.349	10	40	IGCB	
CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc3c(c1)CCN3C(C)C)CC2	257227255	FOISFZLJEGLGDO-OAQYLSRUSA-N	448.615	3.183	10	40	IGCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1	13073882	YJVXUECJSKEAMU-ATDKOCKZSA-N	433.463	3.084	10	40	IGCB	
Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc2c(c1)OCO2	35399951	JPCMZTZZNQICDP-UHFFFAOYSA-N	444.491	3.374	10	40	IGCB	
O=C(O)C[C@H](NCc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	9281082	OABAWSNBZPCXBT-NRFANRHFSA-N	428.444	3.034	10	40	IGCB	
O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cccc(NS(=O)(=O)c2ccccc2)c1	12631203	FVGVVAGENGZCEE-UHFFFAOYSA-N	427.438	3.031	10	40	IGCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1Cl	13669624	CGOMGDMOSWQSIO-UHFFFAOYSA-N	435.977	3.413	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1F	3440745	HDXDGDIZDPUOEH-UHFFFAOYSA-N	433.439	3.407	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CCC(=O)N3CCCC[C@@H]3CCO)C2=O)c1	8971200	NWAUPQDGVZIJBR-VVZNPABPSA-N	434.583	3.050	10	40	IGCB	
COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1	33614486	ABHMNKJROKMUHK-LFIBNONCSA-N	428.491	3.028	10	40	IGCB	
O=C1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccc(F)cc2N1	72308952	CQVDVFYMDJDXTM-UHFFFAOYSA-N	443.434	3.388	10	40	IGCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc2c(c1)OCO2	223581729	RJIQGYQIOXACRZ-YADHBBJMSA-N	436.537	3.183	10	40	IGCB	
COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1	408757496	YJIMKOJRWNSRPE-XNTDXEJSSA-N	443.253	3.211	10	40	IGCB	
COc1ccc(NC(=O)c2ccc3c(c2S(C)(=O)=O)C(=O)c2ccccc2C3=O)cc1	12420973	RQPMVLTWSJKBJC-UHFFFAOYSA-N	435.457	3.126	10	40	IGCB	
COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1	13712461	VBVCQYDXIKSTFU-YBEGLDIGSA-N	445.478	3.158	10	40	IGCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nncs3)c2C)c1	21178476	LIFXTLWGTJUOFM-UHFFFAOYSA-N	445.522	3.494	10	40	IGCB	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(Cn2cccnc2=O)c1	48331744	AACFLKWVXZSJNK-UHFFFAOYSA-N	435.553	3.167	10	40	IGCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)C(C(=O)OC)=C2C)cc1	409017147	KQWXBOKKHNJQOH-PDGQHHTCSA-N	437.448	3.455	10	40	IGCB	
COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)c(Cl)c4)n3)CC2)cc1	9015580	QRVMQIUAEISBOS-UHFFFAOYSA-N	439.951	3.490	10	40	IGCB	
CCC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21	12469602	NKFNYMLSWOYBRB-FBAVSBLXSA-N	428.872	3.119	10	40	IGCB	aggregator
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1	2374909	CUGLMODKGGEERJ-LDADJPATSA-N	432.388	3.320	10	40	IGCB	
CCOC(=O)Cn1cc(/C=C2/C(=O)N(CC)C(=O)N=C2O)c2cc(Br)ccc21	59087283	QCNYRSZRLZSMPR-VGOFMYFVSA-N	448.273	3.289	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl	408804714	GVWCOMORAQTVTP-XNTDXEJSSA-N	428.828	3.192	10	40	IGCB	
Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccc(I)cc1	792599	BZKUSCCMKSBKEO-UHFFFAOYSA-N	431.280	3.405	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	2454540	GJGMJRRUVUZYCV-ZROIWOOFSA-N	434.520	3.382	10	40	IGCB	
CN(C)c1ccc(CN(C(=O)c2cc(-c3cccs3)on2)[C@H]2CCS(=O)(=O)C2)cc1	21524179	FEXPBSCZXBBCOP-KRWDZBQOSA-N	445.566	3.299	10	40	IGCB	
CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)cc1	22664870	FVGZCURIXIVRKX-FQEVSTJZSA-N	432.908	3.118	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	33545883	LJPDNGLTOJRRMX-VIZOYTHASA-N	432.454	3.069	10	40	IGCB	
CCN(CC)c1cc2c(cc1N/C=C1\C(=O)N(c3ccccc3)N=C1C)n(C)c(=O)n2C	408536731	XQGOYKOBBWGTAY-SDXDJHTJSA-N	432.528	3.442	10	40	IGCB	
COc1ccc2c3c(n(CCNc4ncccn4)c(=O)c2c1OC)-c1ccccc1C3=O	604406288	CWUWLYZFOVYBGD-UHFFFAOYSA-N	428.448	3.132	10	40	IGCB	biogenic
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCCC3)nc12	1464621	UENJXSCPUJZJLH-WJDWOHSUSA-N	428.583	3.460	10	40	IGCB	
COc1ccc(N2CCN(C[C@H](O)COCCOC34CC5CC(CC(C5)C3)C4)CC2)cc1	72238833	GOPCKZZYVDMBEX-YXPXJKJVSA-N	444.616	3.180	10	40	IGCB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl	409255310	JLAQTHFLHBZQRW-UHFFFAOYSA-N	448.262	3.069	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	28335562	KEDIGBYAVBYXSB-HXUWFJFHSA-N	427.570	3.004	10	40	IGCB	
COC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O	256055688	PTZJATMGYWVOGH-ZROIWOOFSA-N	434.495	3.029	10	40	IGCB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O	205693631	WGRSQNOCJIOZIY-LICLKQGHSA-N	428.466	3.392	10	40	IGCB	
COCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S	2255341	KHCGJWAADJOVRI-WJDWOHSUSA-N	446.598	3.309	10	40	IGCB	
CN(C)c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	9224186	IDYSXHQQEIEYNM-NTEUORMPSA-N	449.576	3.452	10	40	IGCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1C(=O)N1CCCC1	13676107	SGJJYPPEOIPQBU-UHFFFAOYSA-N	443.569	3.010	10	40	IGCB	
CCOC(=O)c1c(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)sc2c1CCCC2	100925910	SWSJIUPBLINBRR-QINSGFPZSA-N	439.493	3.382	10	40	IGCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)C1=O	409250835	ODPIBFZIGCYJFK-UKTHLTGXSA-N	430.844	3.422	10	40	IGCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1NC(C)=O	260572771	VDFADJXUEMSBNF-INIZCTEOSA-N	431.558	3.368	10	40	IGCB	
COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O	409173898	OVVQRRTVIHAPSB-JLHYYAGUSA-N	447.310	3.298	10	40	IGCB	
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccc4oc(=O)sc4c3)ccc21	6142785	AAMSEPZZMZVHNO-UHFFFAOYSA-N	437.454	3.431	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3c(C)n(-c4ccccc4)[nH]c3=O)C(O)=NC2=S)cc1	8768425	JSAYAGXNYIBGCG-PDGQHHTCSA-N	434.477	3.154	10	40	IGCB	
Cn1c(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)nc2ccccc21	8869978	IOCBSXTUIQQWII-OQLLNIDSSA-N	439.474	3.376	10	40	IGCB	
C[C@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21730958	TXRCNUPRPYSNBD-LBPRGKRZSA-N	435.509	3.323	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1C(=O)O	33544202	RAZLOQKOKQZIDO-MHWRWJLKSA-N	428.491	3.320	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)N2CCCC[C@H]2CCO)C1=O	54360683	KNTRSLZAJPENST-BKJUIBSQSA-N	434.583	3.048	10	40	IGCB	
COc1ccc(N2CCN(C(=O)c3cc4c(=O)n5cccc(C)c5nc4s3)CC2)cc1	96347310	MXHCDYMRNUPZID-UHFFFAOYSA-N	434.521	3.189	10	40	IGCB	
COc1ccc(N2CCN([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1	6804192	QXAQVZLOUPQGPV-DHIUTWEWSA-N	429.586	3.107	10	40	IGCB	
CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1F	222608406	XBYHUMNEAYIMJU-UHFFFAOYSA-N	433.549	3.289	10	40	IGCB	
Cc1ccnc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1	409201023	LINFQOAGIPKMAD-UDWIEESQSA-N	447.470	3.468	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1	1835534	OGBKYEDVYVRSPC-SXGWCWSVSA-N	445.478	3.158	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	9704927	RPJFYLXGCBTESX-SXGWCWSVSA-N	446.481	3.129	10	40	IGCB	
COc1ccc(-c2nnc(N/C=C3/C(=O)NC(=O)N(c4cccc(C)c4)C3=O)s2)cc1	15930862	SOAFPPHTSNAKBH-WJDWOHSUSA-N	435.465	3.101	10	40	IGCB	
CCOC(=O)Cn1c(C)c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	33653694	WBJSNTFBCFFLHY-MHWRWJLKSA-N	432.523	3.189	10	40	IGCB	
C=CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC	34765793	RKLLBCLQSKOAFB-WJDWOHSUSA-N	429.270	3.484	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)[C@H]4CCCC4=Nc4ccccc43)CC2)cc1	101945659	XZZAJHJSVXEHSQ-FQEVSTJZSA-N	432.524	3.263	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O	13546452	YONQTOOOMNPVSB-CXUHLZMHSA-N	439.424	3.489	10	40	IGCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	32722621	QNSCGOJAYYZCKH-UHFFFAOYSA-N	435.977	3.463	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12	408865944	FJVYAFUACDJCHW-UHFFFAOYSA-N	433.445	3.241	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCCn1ccnc1	9187672	FVRGPEVGUYERKB-VBKFSLOCSA-N	434.974	3.334	10	40	IGCB	
CCCc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1	12068992	BYLXEGLFTVPIDS-UHFFFAOYSA-N	431.602	3.138	10	40	IGCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2)cc1	408695397	TXVWSYJBYDUVHO-KGENOOAVSA-N	447.491	3.417	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)c(O)c1	8819282	CHEVQYCFCFZEPC-CXUHLZMHSA-N	446.481	3.460	10	40	IGCB	
COc1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(OC)c1	9883769	ACPRIKSBCSXQTD-UHFFFAOYSA-N	445.427	3.275	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2ccc(Cl)cc2)c2ccc3c(c2)CCCN3C)CC1	22734718	ZVLSBUAKGPYVFQ-HSZRJFAPSA-N	426.992	3.441	10	40	IGCB	
COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCC(=O)O	34808259	AXDOBMHWCWLCJF-RLOMILPJSA-N	435.461	3.463	10	40	IGCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br	409374758	YOAINCRLSQILNC-RIYZIHGNSA-N	433.258	3.491	10	40	IGCB	
COC(=O)/C=C1/SC(N2N=C(c3ccc4ccccc4c3)C[C@]2(O)C(F)(F)F)=NC1=O	8694507	FZBNNQIXGYMMFE-POUQMFDLSA-N	449.410	3.187	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN(c2ccccc2)CC1	8951799	QDDZZXNPHIZFOI-GHRIWEEISA-N	429.592	3.298	10	40	IGCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1	409369671	DSGZTJKCPXVZFD-CPNJWEJPSA-N	438.505	3.022	10	40	IGCB	
CN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N(C)C1=O	12949834	KQBSJOYBOYVQOL-UHFFFAOYSA-N	429.270	3.462	10	40	IGCB	
CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccc(OC)cc2)CC1	13504884	CQJBLWYXTBRFLV-HSZRJFAPSA-N	436.560	3.402	10	40	IGCB	
O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	15228053	CARJITBWCKHTHY-LDADJPATSA-N	436.424	3.356	10	40	IGCB	
O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)c1	15229338	WSJRGFVSAALOGY-BOPFTXTBSA-N	426.450	3.304	10	40	IGCB	
CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	33728805	MFNYTCXWYQNVEL-YDRQLGOLSA-N	444.871	3.140	10	40	IGCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br	408739306	BCFWWTQKGKSLBE-MDWZMJQESA-N	431.242	3.133	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1	409230035	WOAGRFHATOWTFP-XSFVSMFZSA-N	445.431	3.241	10	40	IGCB	
CCc1ccc(N2C(=O)/C(=C/c3c(C)nn(-c4ccccc4)c3O)C(=O)NC2=S)cc1	409370412	QLSJVEACNKBFEX-CPNJWEJPSA-N	432.505	3.280	10	40	IGCB	
O=C1/C(=C/c2ccc(Br)cc2F)SC(=S)N1CCN1CCOCC1	14197673	UMARENLOUZOFHM-ZROIWOOFSA-N	431.352	3.122	10	40	IGCB	
CC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21	19848872	VGNXSJKGRLRVPQ-PDFGSZSQSA-N	430.460	3.229	10	40	IGCB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2	16427959	MNKPVBQBPSHEPR-NTUHNPAUSA-N	431.267	3.009	10	40	IGCB	
CCOC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Cl	95471578	IHISAUCHINUNGK-WJDWOHSUSA-N	427.844	3.404	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1	225509308	DRGUTXWAWQBBNB-HNNXBMFYSA-N	439.528	3.282	10	40	IGCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccccc1F	409108613	XEERZEZNAXYXQT-UYRXBGFRSA-N	441.484	3.337	10	40	IGCB	
CCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccc(C)cn3c2=O)SC1=S	2421949	YWEMHUXQXRRWJB-PTNGSMBKSA-N	446.623	3.167	10	40	IGCB	
CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1Br	106763614	NVTPHYAJCDZCQE-GDNBJRDFSA-N	438.347	3.174	10	40	IGCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C(=O)O)c1	223579256	APLFKMZLFCUNQG-NHCUHLMSSA-N	436.537	3.152	10	40	IGCB	
CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	245230819	ZPFBYZXLZPIINH-IFOBJOEFSA-N	449.551	3.305	10	40	IGCB	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCOCC1	408537049	YXPQIGKFHHXNJN-LGMDPLHJSA-N	432.484	3.132	10	40	IGCB	
COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1	9290931	XZWKTUISCHJILV-OAQYLSRUSA-N	434.500	3.289	10	40	IGCB	
COc1ccc(N(CC(=O)NCCCN2CCCCCC2=O)Cc2ccccc2O)cc1	95957585	LMNXVTMIVOLBRI-UHFFFAOYSA-N	439.556	3.316	10	40	IGCB	
C[C@H]1CCCN(c2ccc(CNC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)C1	260812972	NKTZIMNBYURNIW-IBGZPJMESA-N	429.586	3.001	10	40	IGCB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccco3)C2=O)c1	408536257	QSPKKNUTLIBEBV-ATVHPVEESA-N	432.388	3.174	10	40	IGCB	
COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C1=O)OCO2	15013113	OPJQEKSWPWJECR-YHYXMXQVSA-N	435.219	3.397	10	40	IGCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=N)N21	20206073	CZEHWBLCKCLGIK-LITBSJMGSA-N	432.508	3.052	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)N=C(S)N(c2ccc(Cl)cc2)C1=O	102735964	QHKWERGKKORRBD-PCJMVEANSA-N	438.896	3.464	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCCC3)ccc21	8964101	UZPWSOVFOSBAIB-OAQYLSRUSA-N	444.938	3.363	10	40	IGCB	
O=C(NN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S)c1cccc(O)c1	12275265	WVLHJGZBJWAOIQ-FEHKTJPBSA-N	427.463	3.403	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C(=O)NC1=S	12363405	ROAVLEGPJJGNBH-GHRIWEEISA-N	447.472	3.015	10	40	IGCB	
CC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[nH]c2ccccc12	12662320	AYVXNCBPBUNVNJ-UYRXBGFRSA-N	444.491	3.130	10	40	IGCB	biogenic
O=C1N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)N1Cc1ccc(F)cc1	102563048	WCMPLFHQNHAKLO-STZFKDTASA-N	436.487	3.383	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccco1	408537702	WSASNBQUTUYLEP-SFQUDFHCSA-N	446.415	3.482	10	40	IGCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(OC)c1	409129599	USYBDEWCPXRVKI-LFIBNONCSA-N	426.494	3.161	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3COc4ccccc4O3)c2C)cc1	2658351	WGUVRQNIXSMUOY-QHCPKHFHSA-N	449.459	3.447	10	40	IGCB	
O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1c1cccc(O)c1	9420462	GYXGQDLKUMMUQH-QGMBQPNBSA-N	438.486	3.411	10	40	IGCB	
COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)/C(=C/c4ccco4)SC3=S)c2c1	13573576	DGQODQHAYISQKJ-ZDLGFXPLSA-N	441.534	3.330	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCc1ccc(O)cc1	33537007	IVTWVZILTRKKEK-QGOAFFKASA-N	430.526	3.482	10	40	IGCB	
Nc1cccc(N/C=C2\C(=O)N(c3ccc(I)cc3)C(=O)N=C2O)c1	103125658	DVZNZYJKXBMJQO-ZROIWOOFSA-N	448.220	3.293	10	40	IGCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C(=O)O)c1	223579317	APLFKMZLFCUNQG-RTWAWAEBSA-N	436.537	3.152	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)c1	408530480	LFYNTSUFXRIPBM-RQZCQDPDSA-N	440.506	3.499	10	40	IGCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)N3CCOCC3)c12	409122882	CRRRZMUUQGRRFE-PDGQHHTCSA-N	443.594	3.284	10	40	IGCB	
COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21	409148651	ZFINQWKHZPXKOA-ZDLGFXPLSA-N	431.583	3.261	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c5c(c3)CCCN5CCC4)C2=O)cc1	9086403	SMZZJKSIAJGWSJ-QNGOZBTKSA-N	431.492	3.451	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccc3c(c2)CCN3C)CC1	22733667	MBJUYLBWVDNCPR-QFIPXVFZSA-N	446.517	3.416	10	40	IGCB	
COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)cc1	102722334	GNMSAOWUQQBDTJ-BHIFYINESA-N	444.443	3.230	10	40	IGCB	
CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1C	225776872	DHDZHEQHQDMOOZ-UHFFFAOYSA-N	426.586	3.410	10	40	IGCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccn4)c3C)C2=O)c1	8451828	LUZICFPGHHONHK-DEDYPNTBSA-N	429.480	3.329	10	40	IGCB	
O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S	9547482	ACPBFURBTDCBJT-FMNNIJNLSA-N	436.898	3.407	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccc(N(C)C)cc2)CC1	23080539	KVTGZCDABHUVFV-OAQYLSRUSA-N	434.506	3.490	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@@H](CO)Cc1ccccc1	33539074	BKXBETLCHYVZNX-UIMCMNAESA-N	444.553	3.137	10	40	IGCB	
O=C(CN1C(=O)N/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O)Nc1ccccc1F	34863744	CLAOKWGSORIBLQ-WQRHYEAKSA-N	449.394	3.315	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1cccc(F)c1	408887631	PVWLFVRQGULTON-UHFFFAOYSA-N	435.274	3.082	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c1	2057471	RKPDHNMMQZBGGG-CPNJWEJPSA-N	431.473	3.315	10	40	IGCB	
CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1	16687841	SJXVGQDHEQAFIG-UYRXBGFRSA-N	447.403	3.493	10	40	IGCB	
CC/C(NCc1ccccn1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC	19894244	HUMYFARXTCWJJL-HMMYKYKNSA-N	435.509	3.411	10	40	IGCB	
COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2	41078318	CDRYCJRFUCERJI-AUFHHQQOSA-N	433.420	3.453	10	40	IGCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OC	408848388	YLOOPABXRAQMKC-RIYZIHGNSA-N	449.232	3.272	10	40	IGCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(C)CC3)C2=O)cc1	1218095	SYPAYWHKPSNIFP-LGMDPLHJSA-N	432.567	3.323	10	40	IGCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccccc1F	2385826	ZJTMFMGNNIWDRZ-XDHOZWIPSA-N	443.500	3.128	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCCC3)ccc21	9138281	KCCWKPVBAJHMLG-QHCPKHFHSA-N	438.547	3.490	10	40	IGCB	
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc2c(c1)OCO2	107888430	QSLGLRUCOORRHC-CPNJWEJPSA-N	444.443	3.464	10	40	IGCB	
Cc1cc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1Br	216950439	ZEXQFVXRPLHZIX-UHFFFAOYSA-N	432.362	3.205	10	40	IGCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)SC1=S	408536118	YELVVXSABSKPLY-MFOYZWKCSA-N	440.506	3.499	10	40	IGCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(Br)s1	409191633	JSSUIHUIUWWISL-YRNVUSSQSA-N	437.296	3.040	10	40	IGCB	
CCC(=O)Oc1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1OC	27519914	ACJYJEYVJYKPJS-GDNBJRDFSA-N	445.269	3.235	10	40	IGCB	
CCCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	8972184	JFXGHQCIXGRHKW-HXUWFJFHSA-N	430.570	3.371	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc(OC)c1OC	27530414	ZAFBUGDTNJRAKG-KMHUVPDISA-N	425.528	3.413	10	40	IGCB	
O=C1C[C@H](c2ccncc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96221207	GWMYEOPAQXFFRQ-GFCCVEGCSA-N	433.372	3.118	10	40	IGCB	biogenic
COc1cc(CN/C=C2/C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)cc(OC)c1	101048378	CXYDPOZLNLGOSU-ZHZULCJRSA-N	447.516	3.278	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OC(C)C)C(=O)NC2=S)c(OC)c1	409065199	IBVWBRYAHKLXAV-LFIBNONCSA-N	426.494	3.322	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c(OC)c1	409107770	UKUMFXBTJPCSDM-QGOAFFKASA-N	433.489	3.326	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N(CCO)c2ccccc2)C1=O	8819354	HCUGMCYFKLLZDG-CYVLTUHYSA-N	442.562	3.312	10	40	IGCB	
CCCOc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OCC	26458790	ZIZCOVCMSZMIBJ-MPMPPSQCSA-N	441.596	3.262	10	40	IGCB	
Cc1ccc(N2C(=O)CN(c3ccc(OC(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C	36077571	ZGSCRSIKUAOTKE-YADHBBJMSA-N	428.554	3.109	10	40	IGCB	
Cc1c(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)c(=O)n(-c2ccccc2)n1C	1793545	OHJPWWXOZRDWSN-VLGSPTGOSA-N	448.529	3.213	10	40	IGCB	
COc1ccc([C@@H](CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)N2CCCC2)cc1	9469217	NLPHMQUSHFRNAR-XMMPIXPASA-N	438.572	3.373	10	40	IGCB	
O=C1/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	16741306	JYMMIXYVSVTCDA-VBKFSLOCSA-N	438.534	3.289	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc(OC)c1O	28296858	NOSRBECQHGNTTQ-VIZOYTHASA-N	433.463	3.219	10	40	IGCB	
C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	33536896	GQBHOXAXOWXNQF-NJMOLFHQSA-N	438.958	3.395	10	40	IGCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2OC)C1=O	409243034	UPDOSXQZWUKJBD-KGENOOAVSA-N	448.523	3.389	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1OC	6406441	ZPQLNZVSCGCQNK-BOPFTXTBSA-N	429.523	3.329	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OC	9311436	USNZBJBYBMSYIH-QPEQYQDCSA-N	449.232	3.272	10	40	IGCB	
O=C1C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)N1c1ccc(O)cc1	9494454	LYJMYSXTWCCKND-UAYXSDCWSA-N	436.514	3.482	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccc3c(c2)CCN3C)CC1	22733670	MBJUYLBWVDNCPR-JOCHJYFZSA-N	446.517	3.416	10	40	IGCB	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1	28249050	ZUGICUSIUWQLFE-UHFFFAOYSA-N	431.495	3.341	10	40	IGCB	
COc1ccc2c(c1)c(/C=C1\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O)c(C)n2C	54360814	QUQXKTFMJUNMOO-AVIKPIRVSA-N	448.522	3.015	10	40	IGCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(N)=O)c12	409148733	QZKPIAQKFMZTLH-MBBOSUJBSA-N	429.567	3.069	10	40	IGCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCSCC3)nc12	2322275	HLBBDUWOCRNFKO-PTNGSMBKSA-N	446.623	3.166	10	40	IGCB	
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1	3355187	GNTAKZPQQPGERR-UHFFFAOYSA-N	440.521	3.107	10	40	IGCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	9796774	QNUICDIQIJEQBD-GOSISDBHSA-N	433.599	3.138	10	40	IGCB	
CCOc1ccc(NC(=O)CSc2nnc3nc(NC(C)C)nc(NC(C)C)n23)cc1	27300319	RMYRNHCISIHASR-UHFFFAOYSA-N	444.565	3.289	10	40	IGCB	
CCNc1nc(NCC)n2c(SCC(=O)c3cccc(C(F)(F)F)c3)nnc2n1	3274823	QTTDZSVHUQJHEG-UHFFFAOYSA-N	425.440	3.377	10	40	IGCB	
O=C(O)COc1ccccc1/C=C1\SC(=S)N(c2ccc3c(c2)OCCO3)C1=O	12625430	CVDUYBJVRSOJKM-MFOYZWKCSA-N	429.475	3.327	10	40	IGCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1	17099244	MBNMLJYTINLIOM-UHFFFAOYSA-N	434.905	3.094	10	40	IGCB	
CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(Cc1ccc(N3CCCC3)cc1)C2	19708879	LZKTVYDKDDYVQD-NRFANRHFSA-N	448.615	3.403	10	40	IGCB	
O=S1(=O)N[C@H](C2CCN(Cc3ccc(N4CCCC4)c(F)c3)CC2)Nc2ccccc21	72338931	HKAHLBIQNPLVPF-HSZRJFAPSA-N	444.576	3.368	10	40	IGCB	
CN(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1	219722350	KAFIAYRHXMXAOQ-UHFFFAOYSA-N	429.586	3.394	10	40	IGCB	
Cc1ccc(NN/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1	408537074	YZZFVSNEVXMGTM-XNTDXEJSSA-N	429.274	3.149	10	40	IGCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	408866147	FYCZZLFYAZKHIK-VIZOYTHASA-N	446.213	3.032	10	40	IGCB	
CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c1	13008587	XSHMIAIQDIQYNH-OAQYLSRUSA-N	426.586	3.149	10	40	IGCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O	14133201	LWPIYVACOXBUOG-SFQUDFHCSA-N	435.480	3.279	10	40	IGCB	
CCOc1ncc([C@@]2(O)CCC[C@@H]3CN(Cc4ccc(N(C)C)cc4)C[C@@H]32)c(OCC)n1	72343025	LWLOKSPPPIVBRW-WPWBMXPQSA-N	440.588	3.460	10	40	IGCB	
CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cc(N3CCCCC3)ccc2OC)C1	257304585	SMHZPQDXEKCMDR-RUZDIDTESA-N	436.556	3.001	10	40	IGCB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)NC1CC1	409146101	JHBKFYWAMZTIRW-WSLMLHKMSA-N	441.578	3.300	10	40	IGCB	
Cc1cc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccc2c(c1)OCO2	9635534	MRWBJPRQCFHPGY-QHCPKHFHSA-N	435.432	3.389	10	40	IGCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1	9892613	KXVPFDCPQAKGOE-UNOMPAQXSA-N	445.431	3.485	10	40	IGCB	
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(C(=O)O)cc1	12469062	UVKPUTLGWRVPEZ-VCHYOVAHSA-N	426.450	3.079	10	40	IGCB	
CCN1C(=O)/C(=C\c2cc(OC)c(OCC(=O)O)cc2Br)SC1=S	13915328	WYPPTOKKOUFWFE-LFYBBSHMSA-N	432.317	3.142	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC)cc3OC)SC2=S)cc1	35211642	PJFVRYBQRYSSRO-LICLKQGHSA-N	430.507	3.259	10	40	IGCB	
CCCCS(=O)(=O)N1CCC(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CC1	79048917	NXWCHUAZQJPAFY-UHFFFAOYSA-N	441.557	3.177	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3ccc4cnc(C5CC5)n4c3C)CC2)cc1	96004039	KNIOFJBKGYLJTE-UHFFFAOYSA-N	448.523	3.034	10	40	IGCB	
Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1	2702446	CJUDCXPXRABIST-RJLQUFMYSA-N	428.583	3.316	10	40	IGCB	
O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	62225383	GGCMHXALIFLQCH-UHFFFAOYSA-N	441.597	3.394	10	40	IGCB	
O=C1NC(=S)S/C1=C\c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1	408994475	ZKNGDBOBIGLLHE-ZROIWOOFSA-N	442.507	3.211	10	40	IGCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)c1	409191436	HLNUQLCVQKPRDI-BXUJETTOSA-N	447.447	3.352	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1NC(=O)c1ccccc1	409201978	PKRJOGSDEMTAQF-QGOAFFKASA-N	446.438	3.294	10	40	IGCB	
O=C(COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1)Nc1ccc(F)cc1	34807102	WQSQHJHBJAYVTR-STZFKDTASA-N	431.423	3.305	10	40	IGCB	
O=S(=O)(Nc1cc(-c2nnc3n2CCCCC3)c(F)cc1F)c1cccc2nonc12	89800252	MZDNYDAVTJVRQG-UHFFFAOYSA-N	446.439	3.287	10	40	IGCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)S1	409081721	KUVVWVZZCAVGDW-MHWRWJLKSA-N	436.898	3.214	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)NC1=S	409174479	UNSQAESNJDOXHT-XDJHFCHBSA-N	446.532	3.383	10	40	IGCB	
CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1	8801023	UDHTWHLZLXZJHE-HSZRJFAPSA-N	429.586	3.193	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(O)c(C(=O)O)c1	8819281	HJZDXPYCCBQWDA-CXUHLZMHSA-N	446.481	3.460	10	40	IGCB	
O=C(CSc1nnnn1-c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	12555196	LSOMYPLBFIFXIP-UHFFFAOYSA-N	441.472	3.169	10	40	IGCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1	13073880	YJVXUECJSKEAMU-PBTLCFMXSA-N	433.463	3.084	10	40	IGCB	
COCCN1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)N(c2ccccc2)C1=O	15945326	IQFNMSIUZQQJNT-PTNGSMBKSA-N	445.269	3.180	10	40	IGCB	
COc1ccc(N(C)CCC(=O)N2CCC(c3ccc(-c4cnc(N)nc4)cn3)CC2)cc1	19687837	GSEFGJXZSJORKM-UHFFFAOYSA-N	446.555	3.362	10	40	IGCB	
Cc1ccc(OCC(=O)NN2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1	28629001	TZIGURYEZNTQQH-YBEGLDIGSA-N	429.479	3.215	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccccc2F)SC1=S	13576204	AJWXVVNQISUCNI-NUEDXCKTSA-N	446.481	3.458	10	40	IGCB	
COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)ccc1OCC(=O)O	19996818	UEGOUZZRDYCFPF-DHDCSXOGSA-N	426.450	3.139	10	40	IGCB	
C#CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC	33452388	VSWSHTOTXZSQOX-WJDWOHSUSA-N	441.281	3.321	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1	223648432	FXHAGQOCUUHBKK-QGZVFWFLSA-N	433.574	3.012	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)cc1	409198335	CUQUGLJHSBGGKX-DZSVRRGNSA-N	437.496	3.349	10	40	IGCB	
COc1ccc(/C=C2/SC(=O)N(NS(=O)(=O)c3ccccc3)C2=S)cc1OC	8765867	YZUABYFVZCMEQE-LFIBNONCSA-N	436.536	3.434	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1O	9056476	WYYUODPEGJJXHP-MDWZMJQESA-N	447.310	3.303	10	40	IGCB	
Cc1cc(C(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)c(C)n1-c1ccccc1F	9157637	OLLWEOPRSHTACN-OAHLLOKOSA-N	430.505	3.272	10	40	IGCB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1	28047077	POWQUVJNTWYFFK-UHFFFAOYSA-N	441.597	3.312	10	40	IGCB	
CC(C)CN1C(=O)/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S	33914502	SVVFDFDHZWWONH-KNGSKEOJSA-N	444.582	3.143	10	40	IGCB	
COc1ccc(N2CCN(Cc3c(O)occ(CN4CCCCCC4)c3=O)CC2)cc1	101408880	DRJDLZMJTJJIAK-UHFFFAOYSA-N	427.545	3.052	10	40	IGCB	
CCOCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S	2253848	QQNYVDKVIHTBMY-VBKFSLOCSA-N	446.598	3.390	10	40	IGCB	
O=C1CCCC[C@]2(CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2c2ccccn2)N1	19402261	MYEYPPBZJHBNOT-NBGIEHNGSA-N	438.547	3.086	10	40	IGCB	
COc1ccc(N2CCN(c3nccnc3SCC(=O)NCc3ccccc3)CC2)cc1	33292958	MANLHZYGHXIWDW-UHFFFAOYSA-N	449.580	3.220	10	40	IGCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(Cl)c1Cl	216938462	SYFVMSKNJWIVED-UHFFFAOYSA-N	444.384	3.232	10	40	IGCB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1	409391885	KDWHXGXWRODTQM-FYJGNVAPSA-N	443.463	3.114	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3Br)OCO4)C2=O)cc1	4472613	GLOLRLNXJLOBOM-MLPAPPSSSA-N	429.226	3.153	10	40	IGCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Br)o1	9435954	ZHCVQUHDWWMXJC-XFFZJAGNSA-N	440.047	3.471	10	40	IGCB	
CN(C)c1ccc([C@@H]2N=C3NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1	13638269	DWBPGVZHRQIGRE-HSZRJFAPSA-N	438.539	3.241	10	40	IGCB	
COc1ccc(N2CN=C3S[C@H](CC(=O)Nc4ccccc4)C(=O)N3C2)cc1Cl	72332990	SPXBESHEQUUKOX-QGZVFWFLSA-N	430.917	3.412	10	40	IGCB	
COc1ccc(N2CCN(Cc3coc(O)c(CN(C)Cc4ccccc4)c3=O)CC2)cc1	101373528	WWMPQTZVLMBQMY-UHFFFAOYSA-N	449.551	3.308	10	40	IGCB	
O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc([N+](=O)[O-])c1O	2067082	XTNPEIFOTIXCLL-WUXMJOGZSA-N	438.621	3.178	10	40	IGCB	
COc1cc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCN(C(C)=O)CC2)ccc1O	10214592	MCJISNIOFHHXDP-IBGZPJMESA-N	437.496	3.292	10	40	IGCB	
COc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc(Br)c1O	38166842	VUUAOXHDVBXANI-SDQBBNPISA-N	433.214	3.376	10	40	IGCB	
C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1	222562800	DDRYTMUYQVPZMB-GOSISDBHSA-N	445.585	3.156	10	40	IGCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O	4092117	CQJXCJIGUCCCTQ-XMHGGMMESA-N	429.432	3.404	10	40	IGCB	
CCN(CC)C(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	8440468	BAHCYFHSYHDBMF-AQTBWJFISA-N	440.887	3.401	10	40	IGCB	
O=C(NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccc([N+](=O)[O-])cc1	8765539	UKRQUTCDOLCSEV-NTEUORMPSA-N	430.423	3.049	10	40	IGCB	
CCCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1cccc(OC)c1O	8774856	OHLDWPZJAPRART-GOSISDBHSA-N	431.514	3.250	10	40	IGCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3cccs3)c2C)cc1	9509136	LFPILFNMOHBMDP-UHFFFAOYSA-N	426.494	3.320	10	40	IGCB	
CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(N(C)C)cc4)C[C@@H]32)c(OCC)n1	72343024	LWLOKSPPPIVBRW-RZTXVSJASA-N	440.588	3.460	10	40	IGCB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1C	408912028	POSDUIPXHHKWRT-LZYBPNLTSA-N	430.507	3.387	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1O	716419	BAVSZYYABVGSQU-NTUHNPAUSA-N	447.310	3.303	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc1	8753841	LVASLOJBVZDWRX-MHWRWJLKSA-N	428.491	3.233	10	40	IGCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O	9310218	LJMXGPXVUYJHSB-PDGQHHTCSA-N	431.448	3.043	10	40	IGCB	
COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1	22733312	CYOMVSWYJFVSKM-NRFANRHFSA-N	429.948	3.144	10	40	IGCB	
CN(C[C@H](O)c1ccc(O)cc1)C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S	28296923	BGMMUFIIMTWGHD-BOFQVRIASA-N	446.550	3.159	10	40	IGCB	
COc1ccc(-n2ncc(C(=O)NCc3ccc(N4CCCC4)cc3)c2C(F)(F)F)nn1	28333676	LPUOMLJESPGRGL-UHFFFAOYSA-N	446.433	3.220	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	33545824	QGPTUDRQPJPJPE-MHWRWJLKSA-N	428.491	3.320	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)Nc1ccc(O)cc1C(=O)O	33585430	GVUAKSRWQJRMBR-TZWKYVIBSA-N	444.490	3.470	10	40	IGCB	
CC(=O)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	34909767	VIAYLLJMBDUDJN-QPEQYQDCSA-N	435.661	3.489	10	40	IGCB	
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21	408911839	OPRHOKLWAGOBJW-VCHYOVAHSA-N	435.411	3.010	10	40	IGCB	
O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	409224618	IKSDZWQYVTVQLN-OQLLNIDSSA-N	437.795	3.360	10	40	IGCB	
Nc1c(C(=O)OCC(=O)N2CCCc3ccccc32)ccc2c1C(=O)c1ccccc1C2=O	8826383	OZINKIJQNSXHSW-UHFFFAOYSA-N	440.455	3.180	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	8861069	ZOJDDYRENYSNHN-HXUWFJFHSA-N	445.475	3.169	10	40	IGCB	
Cc1c(/N=N/N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C	22203608	NLIKFYLEJAWXPF-OCOZRVBESA-N	431.500	3.417	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCCn1ccnc1	28297017	AZQFZFYYPXPNGH-FOWTUZBSSA-N	434.974	3.334	10	40	IGCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c3ccccc3)cc2)C1	260845736	XGSSUILPRWXDAF-RBUKOAKNSA-N	429.586	3.421	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)N3CCCC[C@H]3CCO)C2=O)cc1	9348133	AXNPEGHUKSQKDW-BKJUIBSQSA-N	434.583	3.048	10	40	IGCB	
COc1ccc2[nH]cc(/C=C3\SC(=S)N(NC(=O)c4ccccc4O)C3=O)c2c1	9420028	DXBHSSVGSKOMMI-IUXPMGMMSA-N	425.491	3.428	10	40	IGCB	
COc1ccc(N2CCN([C@@H](c3ccc(C)cc3)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504362	KQEBZKZVBLMZFZ-ZEQRLZLVSA-N	448.571	3.081	10	40	IGCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O	16269090	QVVBEGQLFYFZOW-OVCLIPMQSA-N	445.269	3.447	10	40	IGCB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)cc1	26771344	YSGSSPYZOLTHHH-RVDMUPIBSA-N	425.491	3.326	10	40	IGCB	
CCOc1ccc(O)c(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)c1	408854183	ZGLUWSUNVWXVQV-SFQUDFHCSA-N	440.452	3.255	10	40	IGCB	
Cc1cc(C)cc(COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c1	408899101	ZAWSQWDSZBUBQL-UHFFFAOYSA-N	429.270	3.394	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1cccnc1	409192042	TUXVJHNYJAGSPJ-YBFXNURJSA-N	446.488	3.019	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C/c2ccccc2F)SC1=S	13575990	RJCVPQHVBCEWDD-NUEDXCKTSA-N	446.481	3.458	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3	24192653	SJQRQCZZGCLUSX-UHFFFAOYSA-N	446.551	3.232	10	40	IGCB	
CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C(C)C)NC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	101057362	AGMQOTOFXQLJCG-PCCBWWKXSA-N	446.503	3.027	10	40	IGCB	
COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)N1CCCCCC1	113939483	YFQSPUSOHQPFNM-UHFFFAOYSA-N	445.585	3.256	10	40	IGCB	
COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)Nc1ccccc1C	409020255	NFQFZKDUJFFGRY-UHFFFAOYSA-N	425.437	3.241	10	40	IGCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccncc4)c3C)C2=O)c1	8451832	UQENAMQVPJYQNG-FYJGNVAPSA-N	429.480	3.329	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@@H](CO)Cc1ccccc1	9302891	SWEKESDMGRCHHM-MCRQTXEHSA-N	444.553	3.137	10	40	IGCB	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2cccs2)N2CCc3ccccc32)cc1	10188415	DNZIZHDMADCTSB-QHCPKHFHSA-N	448.592	3.351	10	40	IGCB	
O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S	54360923	ACPBFURBTDCBJT-YFBAIUBQSA-N	436.898	3.407	10	40	IGCB	
Cc1cccc(NC(=O)Cn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)c1	59140115	WVKDGUVPVAJDGH-UHFFFAOYSA-N	446.532	3.187	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1	2771629	PYXIFPZJMHQUMN-UHFFFAOYSA-N	427.438	3.327	10	40	IGCB	
O=C1C(=O)C(CCCO)(CCCO)CCCCCCCCC1(CCCO)CCCO	5566822	XMCUDPYSSHXCGU-UHFFFAOYSA-N	428.610	3.322	10	40	IGCB	
COc1ccc(/C=C2\C(=N)N3N=C(c4ccc5c(c4)OCO5)SC3=NC2=O)cc1OC	34719688	LDRFMRBGUSHKKV-RXPBZUCUSA-N	436.449	3.100	10	40	IGCB	
NC(=O)c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1	49003958	CWHRPUUELGIUIA-UHFFFAOYSA-N	445.928	3.218	10	40	IGCB	
COC(=O)COc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1	108103074	GAKDSTSVBJKIJU-HMAPJEAMSA-N	445.475	3.107	10	40	IGCB	
COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1	409169284	WRNXKHOOZSZMEH-NBVRZTHBSA-N	433.489	3.326	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(OC)c1OC	409239342	MXLQHXAQADWMIW-XYOKQWHBSA-N	432.885	3.197	10	40	IGCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)cc2)cc1	1801503	ARJZSHCHQLOVLB-XMHGGMMESA-N	444.534	3.065	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)c(O)c1	13575536	CHEVQYCFCFZEPC-SXGWCWSVSA-N	446.481	3.460	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O	16688765	LJNAGEWMTJTASX-ZROIWOOFSA-N	447.310	3.385	10	40	IGCB	
CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N(CCO)c3ccccc3)C2=O)cc1	27530565	NHGAWISXFVSKKY-XMHGGMMESA-N	442.562	3.312	10	40	IGCB	
C[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	43730169	ANYXSGLZRQIGMO-FJLNVPPCSA-N	444.553	3.135	10	40	IGCB	
COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)cc1	8743060	GNMSAOWUQQBDTJ-BDTNDASRSA-N	444.443	3.230	10	40	IGCB	
CCOC(=O)C1CCN(CN2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)CC1	20028748	IULCEPZGMPAXGC-QGOAFFKASA-N	433.599	3.186	10	40	IGCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	113834108	YYMBRZOPYCNBJR-UHFFFAOYSA-N	439.424	3.006	10	40	IGCB	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	408861720	BYDYBYTWTKMRII-DXIQSLLYSA-N	440.521	3.232	10	40	IGCB	
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC	408939565	NCAFODLIEQLXRB-RIYZIHGNSA-N	444.827	3.112	10	40	IGCB	
CCOC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O	13725696	BJBADCDOZARGQF-XNTDXEJSSA-N	448.522	3.419	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1	40089164	ZSEWFDKFDQMFEC-UHFFFAOYSA-N	436.537	3.413	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C2=O)c1C	409186605	FLLVPABZPHSOQT-XDHOZWIPSA-N	436.464	3.300	10	40	IGCB	
COCc1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=O)c1CCc1ccccc1	22448795	XLWKZKYZUZHRAD-UHFFFAOYSA-N	434.540	3.037	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCC(=O)O	59136165	UKLRGDJFNITPAS-UKTHLTGXSA-N	444.440	3.359	10	40	IGCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c3ccccc3)cc2)C1	224319201	XGSSUILPRWXDAF-RTBURBONSA-N	429.586	3.421	10	40	IGCB	
COc1ccc(N2CCN(C3=N[C@H]([C@H]4CC=CCC4)n4c(nc(C)cc4=O)N3)CC2)cc1	9265075	WDTRXVMVCRYSRY-AVRDEDQJSA-N	434.544	3.019	10	40	IGCB	
COc1ccc(N2CCN([C@H](c3cccs3)c3sc4ncnn4c3O)CC2)cc1	22610218	FNPDZRAZZPNLOJ-QGZVFWFLSA-N	427.555	3.478	10	40	IGCB	
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1)Nc1cccc(F)c1	35128730	WNUGYVNNQXCSEZ-BKUYFWCQSA-N	431.423	3.305	10	40	IGCB	
CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	35362391	YVRPMOKADCSDNK-UVTDQMKNSA-N	434.233	3.151	10	40	IGCB	
CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O	224421290	PMIXDXLILSOVII-QFIPXVFZSA-N	447.601	3.402	10	40	IGCB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1	408692438	MJQYDQXULSVONU-FYJGNVAPSA-N	434.496	3.457	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)cc1	2091750	UNYJANFBGVUIQP-XJAVGTOASA-N	440.584	3.102	10	40	IGCB	biogenic
Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1ccccn1	9221437	CGYJJBFIJWWKKP-OAQYLSRUSA-N	441.491	3.316	10	40	IGCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1	13632587	HYQWWLGITAPXDH-UHFFFAOYSA-N	435.977	3.413	10	40	IGCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1N1CCCC1=O	20110625	AGTYVJWBTBQWHQ-UHFFFAOYSA-N	443.569	3.291	10	40	IGCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(C(=O)c2cccs2)CC1	24975947	RQEKJFFSXKTROB-UHFFFAOYSA-N	426.567	3.225	10	40	IGCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1NC(C)=O	223852567	VDFADJXUEMSBNF-MRXNPFEDSA-N	431.558	3.368	10	40	IGCB	
CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O	409201998	PYCHUZUXTQBIAP-CYVLTUHYSA-N	431.558	3.208	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)NCCc1ccc(O)cc1	13552469	JXYVSCXAJSSHQF-AQTBWJFISA-N	430.526	3.482	10	40	IGCB	
O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1cc(O)ccc1Br	13898499	OHLCNLJFNRWILR-QPEQYQDCSA-N	438.075	3.379	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC	409014770	JFPYNWOPSUMSFG-SFQUDFHCSA-N	426.494	3.324	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)cc1	409189120	DARLOOQLNSSMTJ-NFECSFHCSA-N	447.447	3.352	10	40	IGCB	
O=C(Cc1nnc(O)c2ccccc12)Nn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	1547200863	LZMHLHLABRSGEE-UHFFFAOYSA-N	448.438	3.175	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c(OC)c1	1833230	INEUCBSVYMTGDK-SXGWCWSVSA-N	445.478	3.158	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccc(N(C)C)cc2)CC1	22664977	BYIBHSVUIBZTLC-OAQYLSRUSA-N	445.951	3.033	10	40	IGCB	
COC(=O)/C=C1/SC(N2N=C(c3cccc4ccccc34)C[C@]2(O)C(F)(F)F)=NC1=O	33429050	CBXWMEJWFMNIMI-POUQMFDLSA-N	449.410	3.187	10	40	IGCB	
CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)coc23)CC1	20357573	SYDXQZYBZMFBLX-UHFFFAOYSA-N	438.480	3.215	10	40	IGCB	biogenic
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1	104090839	YPORQKIALNXQEO-ANEHGGCBSA-N	435.469	3.152	10	40	IGCB	
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1Cl	409269633	KYFFOIOTQUZADN-UHFFFAOYSA-N	448.262	3.069	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccccc1	13602815	DEUMGSQWRUVWIM-YBEGLDIGSA-N	429.475	3.200	10	40	IGCB	
O=C(COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1cccc(F)c1	33730079	GOBUOFHBDQYJCI-MOSHPQCFSA-N	431.423	3.305	10	40	IGCB	
CCOc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4ccccc4CC)C3=O)sc2c1	408529799	IAJQKOIBOVJLTO-NTCAYCPXSA-N	436.493	3.836	10	40	IGCB	
COC(=O)c1ccccc1NCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S	16194309	ZVFRZVYIXBIXHY-RQZCQDPDSA-N	428.491	3.473	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1O	408760739	FGUKTQDLVIMQFG-MDWZMJQESA-N	431.242	3.138	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S	2897379	ZJSNNQDFIAOOAH-SXGWCWSVSA-N	430.463	3.460	10	40	IGCB	
CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC	8432652	RYWTZBUVCUSIPZ-VCHYOVAHSA-N	438.436	3.141	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S	409166348	FBZFTKWVVWDQOV-GHRIWEEISA-N	448.460	3.225	10	40	IGCB	
CCOC(=O)c1c(NC(=O)C[C@H](NCc2ccccc2)C(=O)O)sc2c1CCCC2	10186428	BFQYYWUHSKXABQ-INIZCTEOSA-N	430.526	3.375	10	40	IGCB	
COc1ccc(N2CCN([C@H](c3ccc(C)cc3)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504365	KQEBZKZVBLMZFZ-DNQXCXABSA-N	448.571	3.081	10	40	IGCB	
C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21730954	TXRCNUPRPYSNBD-GFCCVEGCSA-N	435.509	3.323	10	40	IGCB	
Cc1ccsc1CN(C)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	35361602	ILOVSLDWPYUNHE-UHFFFAOYSA-N	431.583	3.426	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)C(=O)NC1=S	8430310	BNCKEZZTVLWPMG-LDADJPATSA-N	432.505	3.329	10	40	IGCB	
CCOC(=O)C1CCN(CN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)CC1	33329902	IULCEPZGMPAXGC-AQTBWJFISA-N	433.599	3.186	10	40	IGCB	
COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)OC(C)C	33546927	UOFOOTSWVHQRQF-LICLKQGHSA-N	444.871	3.140	10	40	IGCB	
O=C(C1=CN(c2ccc3c(c2)OCO3)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1	35527524	WTALEMHFZJHREE-UHFFFAOYSA-N	432.885	3.458	10	40	IGCB	
CCOc1ccc(NC(=O)C[C@H]2SC3=NCN(c4ccc(OC)cc4)CN3C2=O)cc1	72332987	OYSZJDQKSQWPIA-LJQANCHMSA-N	440.525	3.158	10	40	IGCB	
Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccccn1	409228889	GRGPJDVXOBUIFS-UNOMPAQXSA-N	433.443	3.160	10	40	IGCB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OC	13343719	IWXRTOPVZCCLJI-WDZFZDKYSA-N	432.317	3.142	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)c3cccc(Br)c3)N3CCOCC3)ccc21	22733402	LXVJCUHTBKQSNJ-OAQYLSRUSA-N	444.373	3.245	10	40	IGCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1O	32109768	FLBVPMBNCPKOPW-GHXNOFRVSA-N	438.075	3.379	10	40	IGCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc2c(c1)OCO2	223581668	RJIQGYQIOXACRZ-FGZHOGPDSA-N	436.537	3.183	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nc(-c4ccccc4)cs3)C2=O)cc1	408535350	SJJQXHOACDCGEL-SFQUDFHCSA-N	434.477	3.788	10	40	IGCB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C	409239500	NUNGWMGZBKXUFV-YBFXNURJSA-N	444.447	3.162	10	40	IGCB	
CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3OC)c3ccccc23)C(=O)NC1=S	9462091	XLKVECIYEUVCOE-NBVRZTHBSA-N	449.532	3.376	10	40	IGCB	
O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)C(=O)N=C1O	33307074	AUKJDHXQBVCPMO-ZROIWOOFSA-N	445.225	3.419	10	40	IGCB	
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12	102550452	PZWPHKDAWVTVIZ-ATVHPVEESA-N	442.397	3.486	10	40	IGCB	
CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1OC	223785537	PADLKIHSUMAOTM-UHFFFAOYSA-N	438.505	3.477	10	40	IGCB	
O=C(NN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)SC1=S)c1cccs1	9232360	SXPKWOQZKBXMCT-FOWTUZBSSA-N	431.564	3.131	10	40	IGCB	
Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c(C)c1	10113141	OFMKKEROEBXKIE-UHFFFAOYSA-N	429.586	3.376	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4C(=O)C3CC3)CC2)cc1	19556549	ZNOVEDPVLNUGRX-RUZDIDTESA-N	435.568	3.240	10	40	IGCB	
CCCC[C@H](CC)COCCCN/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	100164110	METDVBGCJZJYDU-SWEXZPIWSA-N	431.533	3.375	10	40	IGCB	
C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)S1	222597649	LTZLPBNQENAGII-GKCIPKSASA-N	425.514	3.416	10	40	IGCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O	8451779	BTEZHBDJUPVUCA-VCHYOVAHSA-N	434.514	3.292	10	40	IGCB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3O)[C@H]2C(=O)N1c1ccc(F)cc1	13514547	CXIGYYIIAPOMCB-NJDAHSKKSA-N	449.394	3.491	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nnc(CNc4ccccc4)o3)CC2)cc1	905472	UHYWCOXVNBDBGP-UHFFFAOYSA-N	439.541	3.131	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1	8708298	RMVVIGHKAZGZGG-UHFFFAOYSA-N	441.528	3.380	10	40	IGCB	
O=C1c2ccccc2C(=O)c2cc(C(=O)N3CCO[C@@H](COc4ccccc4)C3)ccc21	12376777	KGNAJUHZZUWNLE-LJQANCHMSA-N	427.456	3.382	10	40	IGCB	
C[C@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S	43730409	QNYYPTPWVFQAFE-OXOWVQSXSA-N	432.592	3.058	10	40	IGCB	
CCOc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)sc2c1	408534390	QURBUHYOXXLRDX-RVDMUPIBSA-N	436.493	3.891	10	40	IGCB	
O=C(CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O)Nc1ccccc1F	409199885	FFZRGSUOGWVNMR-UDWIEESQSA-N	440.450	3.487	10	40	IGCB	
CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc1OC	409391851	LVLROAPSEPAAAP-CEXMDJMXSA-N	441.347	3.282	10	40	IGCB	
COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21	9310011	RNKGTSWPAGDGII-ODLFYWEKSA-N	431.448	3.098	10	40	IGCB	
O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc2nsnc12	19078863	SFTOGZWGIFXBRA-UHFFFAOYSA-N	426.527	3.477	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1cccc2c1C(=O)[C@@H]1C=CC=C[C@H]1C2=O	95470864	CHYKUBGUDZTITC-PHBPSXPMSA-N	439.427	3.003	10	40	IGCB	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1	409340174	RPKYHUVMUPTDKX-IUXPMGMMSA-N	429.475	3.373	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3OC)C2=O)c(OC)c1	1299828	CECGMFKHGSQFKO-YVLHZVERSA-N	430.507	3.259	10	40	IGCB	
CCCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1	8972186	JFXGHQCIXGRHKW-FQEVSTJZSA-N	430.570	3.371	10	40	IGCB	
O=C(COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1)Nc1ccccc1F	35128381	GDOHMSXKQGKZTP-RGEXLXHISA-N	431.423	3.305	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)O)C2=O)cc1C	409049783	YRKXHRPKBRLAPZ-CXUHLZMHSA-N	428.828	3.087	10	40	IGCB	
CC[C@@H](C)N1C(=O)/C(=C/N(CCN2CCOCC2)Cc2ccccc2F)SC1=S	30819346	RRPIOYKEDSSNEG-URTGMZOISA-N	437.606	3.460	10	40	IGCB	
CC(C)[C@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S	43730538	ROZSAQRUGNDIAV-LQIYTKHJSA-N	444.578	3.225	10	40	IGCB	
C[C@H](C(=O)N1CCCC[C@H]1C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	54360686	GQBHOXAXOWXNQF-WBZJUKLNSA-N	438.958	3.395	10	40	IGCB	
COc1cc(Br)ccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O	408533540	SXOVWQRLXDXYPK-ZRDIBKRKSA-N	446.257	3.045	10	40	IGCB	
CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1OC	1252207	SDXNASRVUWDAJP-YVLHZVERSA-N	430.507	3.346	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N=C2O)cc1	9089750	OVHBMFIKTGOILG-QNGOZBTKSA-N	430.464	3.423	10	40	IGCB	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3c(F)cccc3F)C(C)C)CC2)cc1	13136582	BOWQGHWHTONNFW-OAQYLSRUSA-N	431.483	3.077	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408778347	DYYMSZZZMPCEJA-LDADJPATSA-N	430.376	3.449	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(O)cc1	1237752	IYJMIOBUTZHBLL-YVLHZVERSA-N	428.491	3.351	10	40	IGCB	
Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCCC1	13670455	SWBPXPYCLWBHRP-UHFFFAOYSA-N	427.570	3.310	10	40	IGCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(O)cc3C)C2=O)ccc1Br	408539263	UVBIFOMQOSHEQI-NTEUORMPSA-N	430.258	3.350	10	40	IGCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)cc1	408987362	OHMQWXBAEKPXPH-ZSOIEALJSA-N	445.269	3.392	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C[C@H]1CCCO1	409205208	ORMMPLXXTNUBSZ-HDAJJNEKSA-N	427.501	3.254	10	40	IGCB	
Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccncc1	409208403	FTQBRVXEOTYTOU-UDWIEESQSA-N	433.443	3.160	10	40	IGCB	
O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	4088957	AADFPGDAPCFCEB-IPJJNNNSSA-N	441.509	3.442	10	40	IGCB	
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1F	9135605	NJZIHPAHEWCXLT-QHCPKHFHSA-N	438.547	3.408	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)C(=O)OC	108994564	NIUPMKIJFDFCAE-ATTDUZETSA-N	444.871	3.140	10	40	IGCB	
CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	408851467	ZRKPQBNZSSCQDS-AWNIVKPZSA-N	444.827	3.142	10	40	IGCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)o2)c(C)c1	409244959	LFHMJVXSCQZSGY-WOJGMQOQSA-N	431.404	3.103	10	40	IGCB	
CN=c1cc([C@@]2(C)CCCN(C(=O)c3cc(N4CCCCC4)ccc3OC)C2)nc(C)[nH]1	2037801990	KVRUZCMWOBNHRT-VWLOTQADSA-N	437.588	3.441	10	40	IGCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)C(O)=NC1=S	59182292	CAXZERVVNRLXBW-LDADJPATSA-N	438.553	3.387	10	40	IGCB	
COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)NC1=S	98086703	ZOOCVDIQWMTKPR-LDADJPATSA-N	437.496	3.102	10	40	IGCB	
COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)c1	1792619	XHPSEBDNLZLFMA-MHWRWJLKSA-N	428.491	3.233	10	40	IGCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)cc1	41077680	SBSOQTMAFMWASL-QNMDCZIWSA-N	441.538	3.024	10	40	IGCB	
C[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1	225856859	YZEQZVFKMCUUJT-GOSISDBHSA-N	447.576	3.455	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC(C)=O	409342805	FMFXMNIDFAZEGS-DHDCSXOGSA-N	434.520	3.228	10	40	IGCB	
COC(=O)Cc1c(C)c2cc(CNc3ccc(OC)c(OC)c3)c(O)c(C)c2oc1=O	9061225	SJBCQOCIQIGCME-UHFFFAOYSA-N	427.453	3.460	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1	9440732	JTSLNHCYMAUDBU-UHFFFAOYSA-N	441.528	3.380	10	40	IGCB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	9612413	LJCUOVOISLOFGH-NSHDSACASA-N	434.360	3.147	10	40	IGCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCc1ccc(O)c(O)c1	13575630	UVCQBHSJYYLVRM-LLLGHMJXSA-N	440.546	3.214	10	40	IGCB	
Cc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccc(N4CCOCC4)c(F)c2)C3)nc1	100149422	LANVJPBIMWXJKW-SFTDATJTSA-N	425.548	3.485	10	40	IGCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1	409406507	KGGGMRICJISVLU-JCMHNJIXSA-N	427.460	3.474	10	40	IGCB	
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1	2246383	OJROXMDJZXPCBS-GDNBJRDFSA-N	432.571	3.061	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)cc1	6645253	VIRAPZWZFFLCRT-PDGQHHTCSA-N	448.456	3.485	10	40	IGCB	
CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S	8828389	VXBJRYRPUWOXJZ-TXSYJAFISA-N	425.528	3.413	10	40	IGCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(C(=O)O)c1	9265164	HCWPJFWOJXXEJQ-ODLFYWEKSA-N	433.420	3.047	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/NC[C@]3(C)C[C@@H](O)CC(C)(C)C3)C2=O)c(C)c1	19832585	PDEHXAAANCOGQN-RMWANVKESA-N	427.545	3.245	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	13572524	XBTIYQQWEWYNJI-SYEOYNTFSA-N	446.481	3.458	10	40	IGCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)O)C3=O)c2C)c1	408968377	YFZRMVFUTJQSFP-YVLHZVERSA-N	428.466	3.392	10	40	IGCB	
CNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O	1250035	YUFHQIKUDWIBJN-LGMDPLHJSA-N	436.562	3.489	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1	40158053	NDMIZFGSPDIIDO-UHFFFAOYSA-N	427.526	3.402	10	40	IGCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	103107141	NWELCZSXTMCQTQ-QGOAFFKASA-N	431.452	3.212	10	40	IGCB	
CC(C)C[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O	12032602	IXEPFFXVFWQURN-SQGVVCSDSA-N	432.567	3.450	10	40	IGCB	
CCOC(=O)c1ccc(N(CC[C@H](O)CN=[N+]=[N-])S(=O)(=O)c2ccc(C)cc2)cc1	17417757	MITIBUKUMOZQOO-SFHVURJKSA-N	432.502	3.428	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCCC3)ccc21	23858052	USHAJMOOGAOJHE-HSZRJFAPSA-N	426.605	3.161	10	40	IGCB	
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)CCn1ncc(=O)c2ccccc21	58055284	CYCGDNNTGKEHRQ-UHFFFAOYSA-N	448.567	3.451	10	40	IGCB	
COc1ccc2nc(/C=C3/SC(=S)N(CCCN4CCOCC4)C3=O)ccc2c1	13721178	PLHFTSCRPKYVAV-XMHGGMMESA-N	429.567	3.167	10	40	IGCB	
CN(C)c1ccc(/C=c2\sc3nc4ccc([N+](=O)[O-])cc4n3c2=O)cc1Br	408723276	SMJXVSQCKQCKOB-PXNMLYILSA-N	445.298	3.194	10	40	IGCB	
COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)OC(C)C	33546926	UOFOOTSWVHQRQF-YVLHZVERSA-N	444.871	3.140	10	40	IGCB	
COc1ccc(N2CCN(C(=O)c3snc(-c4ccccn4)c3NC(C)=O)CC2)cc1	49007863	HGNZVQAQIAOHEN-UHFFFAOYSA-N	437.525	3.135	10	40	IGCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C2=O)c1	83308379	LDBVMXWSPOBHCJ-VGOFMYFVSA-N	426.341	3.332	10	40	IGCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C	223643516	UNSXHPYGDHXYHT-FGZHOGPDSA-N	435.553	3.420	10	40	IGCB	
Cc1cc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)ccc1Br	408590135	GFONKJRQNUGISJ-LZYBPNLTSA-N	432.274	3.142	10	40	IGCB	
O=C1C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)N1c1ccc(O)cc1	1304572	LYJMYSXTWCCKND-UCCYEOCQSA-N	436.514	3.482	10	40	IGCB	
CCCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S	2328550	UOLRJRWQSRLUHH-SQFISAMPSA-N	446.623	3.249	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	409071114	NIYCKFWJNPFPOY-HMMYKYKNSA-N	448.456	3.121	10	40	IGCB	
COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O	33916905	IGTWUSOWMRINPS-LICLKQGHSA-N	430.507	3.259	10	40	IGCB	
COc1cccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1O	102732454	CNCJVMCKYBVHRF-MQSCRBSSSA-N	430.460	3.448	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1	409213788	TWOBWHIAMWSBFM-XSFVSMFZSA-N	444.516	3.320	10	40	IGCB	
CC[C@@H](C)Oc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC	9259378	OSKVLBFGRDRNKB-SNVBAGLBSA-N	441.347	3.234	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCSc1ccc(C)cc1	13898631	FKTKOTMIFRKSAK-UHFFFAOYSA-N	428.535	3.089	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1cccc(C)c1	13943720	WSFYFPVZSNQOHE-UHFFFAOYSA-N	446.912	3.029	10	40	IGCB	
COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)cc1	16732962	ANJHDUFDTIPIHK-WJDWOHSUSA-N	438.534	3.146	10	40	IGCB	
COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O	408549131	PNAQIYFDDWUOGB-RQZCQDPDSA-N	446.301	3.231	10	40	IGCB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCC(=O)OC	409149213	ZDVMMJUKONTBPH-PDGQHHTCSA-N	440.477	3.037	10	40	IGCB	
NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1	8684052	HBKQIISXGIQMKD-LFIBNONCSA-N	438.983	3.431	10	40	IGCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1	9265215	SFNZLKCSYWRNLZ-ZHZULCJRSA-N	429.432	3.404	10	40	IGCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C	408530186	LMZKVPRVASOYMD-UVTDQMKNSA-N	440.847	3.157	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1	409391087	GYPWWJBFDQJRMS-KGENOOAVSA-N	429.480	3.222	10	40	IGCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1	9126819	VVFPUINBTPHBMH-LJQANCHMSA-N	441.578	3.400	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	9310572	DFDDHMANJOQADP-VGOFMYFVSA-N	447.450	3.077	10	40	IGCB	
O=C(O)C1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccco3)SC2=S)CC1	33539682	WQIPLPXKRJNJCI-SSZFMOIBSA-N	436.555	3.364	10	40	IGCB	
CN(C)c1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(S(C)(=O)=O)cc3)c[nH]2)cc1	72321990	RKIYHXPMSFPTFR-QFIPXVFZSA-N	440.569	3.120	10	40	IGCB	biogenic,in-vitro
C[C@@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc2O1	408710902	VQAVAIHNYSVFJH-HPUUJOOBSA-N	427.254	3.439	10	40	IGCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)NC2=S)cc1	409142429	LJYBBPJPVHUBCV-QGOAFFKASA-N	439.512	3.056	10	40	IGCB	
CCOc1c(Cl)cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1OC	98002418	YNKFLEHNRPDQKW-FOWTUZBSSA-N	442.990	3.281	10	40	IGCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1	107754175	NMJULKCHWUHBSK-YBEGLDIGSA-N	447.363	3.152	10	40	IGCB	
CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)s1	222892538	IXZVGHOGMSGSJQ-CQSZACIVSA-N	437.591	3.162	10	40	IGCB	
O=C(CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O)Nc1ccccc1F	409211529	NRGGFWGOMGZXCA-CPNJWEJPSA-N	440.450	3.487	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)N3CCCCC3)ccc21	9138116	RXJMKYVIWWVUHM-QHCPKHFHSA-N	426.605	3.161	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)N2CCCC[C@@H]2CCO)C1=O	9429244	RVBIOCKGUAHMDF-JFPYRBRCSA-N	448.610	3.440	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)cc1	409189118	DARLOOQLNSSMTJ-ITRAFESCSA-N	447.447	3.352	10	40	IGCB	
Cc1occc1-c1cc2nc3c(c(O)n2n1)CN(Cc1ccc(N2CCOCC2)cc1)CC3	12222871	HTVSHEPHTJPMTO-UHFFFAOYSA-N	445.523	3.398	10	40	IGCB	
O=C1/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1	16741309	ADSQKXXBECMLGO-SSZFMOIBSA-N	426.567	3.439	10	40	IGCB	
CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	100051458	SOHDXWQRPBWYOO-CVTQAYBASA-N	440.821	3.175	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1	224496389	CVZMQCTVASGOQU-SFHVURJKSA-N	447.601	3.321	10	40	IGCB	
Nc1c(C(=O)OCc2nc(-c3ccccc3)no2)ccc2c1C(=O)c1ccccc1C2=O	22987900	GQXAOWPXJOABMX-UHFFFAOYSA-N	425.400	3.451	10	40	IGCB	
Cc1cc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1[N+](=O)[O-]	408552811	VQFPYSJNWWFHQP-WQLSENKSSA-N	434.836	3.439	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1	408755066	BHZRHKYVAWMHJE-UDWIEESQSA-N	445.435	3.372	10	40	IGCB	
CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1	8855078	HMTBATBOOPSTTI-JFARUEAUSA-N	438.556	3.432	10	40	IGCB	
CCOC(=O)c1[nH]c(CN2CCN(c3ccc(OC)cc3)CC2)c(C(=O)OCC)c1C	58126786	GVZJSCMVVSKDGI-UHFFFAOYSA-N	429.517	3.007	10	40	IGCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C	223643390	UNSXHPYGDHXYHT-YADHBBJMSA-N	435.553	3.420	10	40	IGCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)c1	409191437	HLNUQLCVQKPRDI-ONDHQXCVSA-N	447.447	3.352	10	40	IGCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1F	409193736	LSYAYFUNQDOYQP-FOWTUZBSSA-N	435.436	3.146	10	40	IGCB	
COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O	409231224	IWWTZCNSLZJMDV-OQLLNIDSSA-N	426.494	3.161	10	40	IGCB	
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCCCCO)ccc(NCCCCCO)c21	5386704	AEPWTLRIDJMRJS-UHFFFAOYSA-N	442.512	3.022	10	40	IGCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1nnc(-c2ccccc2)s1	34240675	OLYISEHSXNEOOC-UVTDQMKNSA-N	425.857	3.437	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1	9514096	NBPBFCDYTXUWBE-UHFFFAOYSA-N	438.480	3.200	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2cccs2)SC1=S	9253439	CGHQUUJPXUWEJW-ZJTXEKFPSA-N	434.520	3.380	10	40	IGCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1	9310549	PRNNINPATXQQGI-LICLKQGHSA-N	442.518	3.298	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S	95471447	QDVNIOOWRVMBLQ-WZUFQYTHSA-N	425.850	3.347	10	40	IGCB	
Cc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408655993	FADFJUHZTNFAFU-SJBKTWHCSA-N	446.503	3.039	10	40	IGCB	
COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1	408959876	HGYXBUKQFXGFRE-QNGOZBTKSA-N	434.496	3.217	10	40	IGCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	107654478	HUMHZYRBESWIEW-UDWIEESQSA-N	447.403	3.429	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)cc3)C2=O)cc1	408531385	KLMNGPWEUJYUGV-LFIBNONCSA-N	430.258	3.427	10	40	IGCB	
Cc1ccc(-c2nnc(S)n2CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	10907683	QFSNYNDTQNDOMM-UHFFFAOYSA-N	437.569	3.037	10	40	IGCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2I)C1=O	408550855	KJQVCWLDCSGBAU-JLHYYAGUSA-N	432.217	3.266	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1O	409103518	CBZCVIFCEFNLLT-KPKJPENVSA-N	432.885	3.203	10	40	IGCB	
COC(=O)c1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1	8821888	IGLFFSXUPXUNTH-RGEXLXHISA-N	425.485	3.405	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nnc(NCc4ccco4)s3)CC2)cc1	12534454	KXCWRHPXJCSNEL-UHFFFAOYSA-N	445.570	3.193	10	40	IGCB	
Cc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Br	12555646	IQTTTZSQDFYYBX-UHFFFAOYSA-N	439.375	3.415	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCCC3)ccc21	13008014	UVNNIPFYESNZFW-QFIPXVFZSA-N	442.510	3.239	10	40	IGCB	
C/C(NCCN1CCOCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	19646343	OMSMVCDZIFCAOL-FXBPSFAMSA-N	447.564	3.243	10	40	IGCB	
Cc1ccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1S(N)(=O)=O	28437510	VSANMIWBFGWTIO-UHFFFAOYSA-N	441.509	3.073	10	40	IGCB	
C=CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	34701620	BUMBOUMHXFVPHD-PTNGSMBKSA-N	446.244	3.317	10	40	IGCB	
O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1cc(F)ccc1F	96936848	UFGMQBXSXBGHBP-IUXPMGMMSA-N	448.472	3.325	10	40	IGCB	
CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	408594424	RQQJBBMXQQMVHA-UHFFFAOYSA-N	446.573	3.080	10	40	IGCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3[N+](=O)[O-])C2=O)ccc1Br	408760021	QBSSWNWTKSIFBT-UKTHLTGXSA-N	430.214	3.332	10	40	IGCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OC	408913601	MIYQKZQFIGOYSQ-VGOFMYFVSA-N	449.232	3.272	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)NCCc1ccc(O)cc1	9348454	XKXDIAIBJSVNMB-FVLRUWFFSA-N	428.535	3.492	10	40	IGCB	
COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(I)c1O	58865775	QVAMANKVYGVHAM-UHFFFAOYSA-N	444.221	3.149	10	40	IGCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1	408774800	NDOGCQFGBCYRDM-UNOMPAQXSA-N	440.883	3.471	10	40	IGCB	
CCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S	9427918	DOFJGKPNXGYWPQ-YAEPZUJJSA-N	428.583	3.398	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1O	408886738	IQRHEVFJNRQXNT-NTUHNPAUSA-N	445.269	3.447	10	40	IGCB	
COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2c1	408952364	NLWGANWQQWBBHI-WOJGMQOQSA-N	446.415	3.252	10	40	IGCB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1	409227603	QQCBOJLSXAJWJL-CIAFOILYSA-N	443.463	3.114	10	40	IGCB	
O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccccc1F	3652533	UIWJDWFTSJYVKF-PDGQHHTCSA-N	426.423	3.096	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c(OC)c1OC	8821590	BNCBEUNIAXZIOL-VBKFSLOCSA-N	444.534	3.188	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C\c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)SC1=S	9296615	AYYZGBLLDDNXII-OQLLNIDSSA-N	430.463	3.177	10	40	IGCB	
Cc1c(-c2ccc(Cl)cc2)c(=O)oc2c(CN3CCN(CCO)CC3)c(O)ccc12	20605087	FCHWYWVABSFBEA-UHFFFAOYSA-N	428.916	3.237	10	40	IGCB	biogenic
O=C(O)CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)SC1=S	408723979	BOLBNCUNUIBYCO-OQLLNIDSSA-N	444.446	3.100	10	40	IGCB	
COc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cccc1[N+](=O)[O-]	408902359	HVVRHLXVTWAAHF-UKTHLTGXSA-N	446.213	3.032	10	40	IGCB	
CC(C)c1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	8590105	LNDPWIHENPHLMN-JOCHJYFZSA-N	444.597	3.471	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCCC3)ccc21	8964102	UZPWSOVFOSBAIB-NRFANRHFSA-N	444.938	3.363	10	40	IGCB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2	9311432	MNKPVBQBPSHEPR-QPEQYQDCSA-N	431.267	3.009	10	40	IGCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	409204074	AJVVBVZYFFPSSY-LFIBNONCSA-N	425.397	3.059	10	40	IGCB	
COc1ccc(N2CCN(c3ncnc4c3nnn4Cc3ccccc3Cl)CC2)cc1	1361484	BYGLMOXTTVNAPN-UHFFFAOYSA-N	435.919	3.258	10	40	IGCB	
CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1	22733607	VIBYUQKZLWHUJL-VWLOTQADSA-N	436.600	3.185	10	40	IGCB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	217411352	MXPGAVYMLYECIT-NTUHNPAUSA-N	447.856	3.097	10	40	IGCB	
COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	3267274	FRFVKFLKTPAQII-UHFFFAOYSA-N	438.455	3.493	10	40	IGCB	
Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1-c1cccc(Cl)c1	22717406	VAPYMOSNCWFQLI-UHFFFAOYSA-N	447.944	3.042	10	40	IGCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3c(O)ccc4ccccc34)C2=O)cc1	408891800	VOQIXYVYGHAKNE-CPNJWEJPSA-N	430.416	3.389	10	40	IGCB	
CCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nnc1-c1cccs1	3445116	HISIGQQKBOQPJY-UHFFFAOYSA-N	443.598	3.476	10	40	IGCB	
CCOC(=O)Cc1csc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)n1	8870019	RIISLEDDCVIQDK-RIYZIHGNSA-N	447.563	3.332	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCCC[C@@H]2CCO)C1=O	9253399	HZKGJOFQEPQYBA-VVZNPABPSA-N	434.583	3.050	10	40	IGCB	
C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	13648449	KCCCZDDQAJBVSW-INIZCTEOSA-N	435.977	3.411	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@H](CO)Cc1ccccc1	33544030	OGGADJMKDNAVSK-GYKGCMEESA-N	446.981	3.261	10	40	IGCB	
COc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	35597188	AODLJNGNQMFPTH-XMMPIXPASA-N	437.588	3.188	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)cc1	61997022	UNYJANFBGVUIQP-NSVLHPQCSA-N	440.584	3.102	10	40	IGCB	
CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	408538007	YJNFYSWBTTXNTP-GDNBJRDFSA-N	428.828	3.330	10	40	IGCB	
Cc1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1	408660161	KZMXZNWKUHPLRJ-VSKRKVRLSA-N	446.503	3.039	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1	408915513	WSOSXYUPZZQDAX-VGOFMYFVSA-N	434.876	3.323	10	40	IGCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)OC(C)C)cc2)C(=O)NC1=S	409189335	JKRAOBSUWOZVQS-LDADJPATSA-N	438.505	3.157	10	40	IGCB	
O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	102762281	VDEZKUQXZXNLAT-NJYVYQBISA-N	447.403	3.057	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OC	409245238	PMAPQMVUUJWFFT-MDWZMJQESA-N	430.844	3.341	10	40	IGCB	
COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC	33713672	JZIANFFIBDRDDD-UNOMPAQXSA-N	437.448	3.368	10	40	IGCB	
CN(C)c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1	102912137	OPRNKVGFEOBUFJ-JKIFEVAISA-N	429.489	3.083	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	113838240	GOVOUAQDQUFGKZ-UHFFFAOYSA-N	437.355	3.320	10	40	IGCB	
O=C(CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2F)C1=O)Nc1ccccc1F	409212960	NOHMVRBXUVKZAT-YBFXNURJSA-N	426.423	3.096	10	40	IGCB	
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1	8801597	OEURIJMSZMXLFL-QHCPKHFHSA-N	429.586	3.193	10	40	IGCB	
O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc21	223069829	UFKFRUGVWZFHJB-UHFFFAOYSA-N	425.554	3.064	10	40	IGCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)NC1=S	409136437	TUKPUVLHOFKVOA-GHRIWEEISA-N	439.512	3.056	10	40	IGCB	
CC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21	8869249	VGNXSJKGRLRVPQ-AIFLQVKLSA-N	430.460	3.229	10	40	IGCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccccc1C	9144553	VYSKDNKWOQATSN-UHFFFAOYSA-N	438.480	3.285	10	40	IGCB	
COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc(OC)cc2O)n1	35425034	HUKYGJOQZDRYLI-SFHVURJKSA-N	426.473	3.208	10	40	IGCB	biogenic,in-vitro
CCCC[C@@H](CC)COCCCN/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	100164108	METDVBGCJZJYDU-MNTXUITRSA-N	431.533	3.375	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)C(O)=NC2=S)cc1	8809634	VWTXXDOJFJSALM-XNTDXEJSSA-N	426.454	3.341	10	40	IGCB	
COc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)N2CCc3ccccc32)cc1OC	9266143	CLHKPCAIWVNYQI-XSFVSMFZSA-N	429.476	3.459	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1	33758400	OWHUKYYOOVPDAP-LFIBNONCSA-N	430.507	3.259	10	40	IGCB	
CCOC(=O)[C@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC	33792823	BVCMEPPWJLSQIA-HNEYUBDGSA-N	444.871	3.140	10	40	IGCB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCCC2)cc1	222779542	PHRFMVVCXDRISN-QFIPXVFZSA-N	445.585	3.156	10	40	IGCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)c1	408951052	HPXKHBAQHNINOT-WOJGMQOQSA-N	429.432	3.489	10	40	IGCB	
COc1ccc(CCN2C(=O)NC(=O)/C(=C\c3c[nH]c4cc(F)ccc34)C2=O)cc1OC	9184429	BLGHUPAKLIXKNX-LICLKQGHSA-N	437.427	3.029	10	40	IGCB	
CCN(CC)c1ccc(/C=C2\SC(=N)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	15053814	XUXNJVKVZBOEFM-JEFZPDFESA-N	430.555	3.236	10	40	IGCB	
COc1ccc2c3c(n(CCC(=O)N4CCCC4)c(=O)c2c1OC)-c1ccccc1C3=O	604406293	DHSNUPFQLPKMFT-UHFFFAOYSA-N	432.476	3.243	10	40	IGCB	biogenic
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	4088959	AADFPGDAPCFCEB-KNKQGSTJSA-N	441.509	3.442	10	40	IGCB	
COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccccc3OC)C2=O)c1	27229277	CSZJZARRYKBVRJ-GZTJUZNOSA-N	430.507	3.259	10	40	IGCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1	9308029	NZWUEDHKKPCORM-RCCKNPSSSA-N	435.549	3.478	10	40	IGCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)O)cc1	35387642	PBAHTDCHCWASRX-BKUYFWCQSA-N	431.448	3.019	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H](O)COCCOC34CC5CC(CC(C5)C3)C4)CC2)cc1	72238832	GOPCKZZYVDMBEX-UEMNXXGQSA-N	444.616	3.180	10	40	IGCB	
CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)c2ccccc21	8821624	VJAIUMBADVFXSN-MSUUIHNZSA-N	438.486	3.362	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCCC3)ccc21	8964184	SUFJAMKWRLGEDV-NRFANRHFSA-N	426.948	3.224	10	40	IGCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	408739870	BCPBCUADUPMFLA-RIYZIHGNSA-N	432.255	3.189	10	40	IGCB	
CCN1C(=O)/C(=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)C(C(=O)OC)=C1C	408785188	ZLQOGRRFIJXTPM-JWGURIENSA-N	448.519	3.117	10	40	IGCB	
COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C1=O)OCO2	409069610	LYCRXHPOFQVNPP-WCIBSUBMSA-N	435.219	3.397	10	40	IGCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1	2309078	PAEQYYMANPWVNR-ZHZULCJRSA-N	438.915	3.061	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc4nonc34)C2=O)c1	9216127	PWUJUZBGURGBGJ-WJDWOHSUSA-N	440.506	3.461	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)N3CCCC[C@H]3CCO)C2=O)cc1	9348136	AXNPEGHUKSQKDW-XBNPZXQFSA-N	434.583	3.048	10	40	IGCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O	13711789	IGTWUSOWMRINPS-YVLHZVERSA-N	430.507	3.259	10	40	IGCB	
C[C@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	43730510	GVDRFWICJLERNF-FTJFQBKMSA-N	444.553	3.135	10	40	IGCB	
CC(C)Oc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	8590081	WDJHNOKQVUDBIL-OAQYLSRUSA-N	430.570	3.369	10	40	IGCB	
CCOC(=O)c1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1	44169078	WMBLECVWVKNZNI-UHFFFAOYSA-N	426.494	3.253	10	40	IGCB	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1	224086142	ZYZGPJSENMVDIQ-UHFFFAOYSA-N	433.574	3.158	10	40	IGCB	
CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21	408820517	WRVXHOIVLGUWAV-DEDYPNTBSA-N	445.475	3.488	10	40	IGCB	
C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1)C(=O)NC1CCCCC1	9191874	BMJHISLTVIWGMO-HNNXBMFYSA-N	446.525	3.432	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S	9429652	CMBWITDROXRTAX-LYQMGENXSA-N	446.481	3.458	10	40	IGCB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1	59139671	IOFRTCXWXUURMA-UHFFFAOYSA-N	445.928	3.133	10	40	IGCB	
C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O	224938255	JJSZYTHVJVBRDJ-HNNXBMFYSA-N	437.512	3.036	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccco3)C2=O)cc1	408528104	AUVARIBHHPQULA-LGMDPLHJSA-N	432.388	3.174	10	40	IGCB	
CCOC(=O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S	1810123	BHZQXLUUVLAHAP-HNENSFHCSA-N	438.530	3.368	10	40	IGCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12	2370417	SZOJRRCUUWFJAR-CSBKXELUSA-N	428.583	3.316	10	40	IGCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nnc2n1	16689840	WGYHFJBPOIRURX-UHFFFAOYSA-N	441.348	3.421	10	40	IGCB	
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)N1CCCCCC1	20568012	HYTVYLXMVCFJSK-UHFFFAOYSA-N	432.498	3.241	10	40	IGCB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1	33489272	AYKANDIRXPQGEB-XSFVSMFZSA-N	443.459	3.174	10	40	IGCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(SCc4ccccc4)o3)C(=O)N=C2S1	41077726	WWKYDZBCZRPIDF-CXHQGSNTSA-N	446.535	3.193	10	40	IGCB	
O=C1C[C@H](c2cccnc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96222118	QYSQJPNRUZZBBU-GFCCVEGCSA-N	433.372	3.118	10	40	IGCB	biogenic
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1	408914913	ZSGZSABLZGRFJF-OVCLIPMQSA-N	430.913	3.493	10	40	IGCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)o2)c1	409193550	GHSJFXWRFSQTKA-WOJGMQOQSA-N	432.388	3.436	10	40	IGCB	
COc1cccc2ccc(/C=C3/SC(=S)N(CCCN4CCOCC4)C3=O)nc12	13733002	VMHIBNMBDKJHJE-NBVRZTHBSA-N	429.567	3.167	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@]45[C@H]3CC[C@@H](C)[C@H]4CC[C@@]3(C)O[C@H]53)CC2)cc1	103545754	BALNINAJAHCEHC-OHPYJKQJSA-N	440.584	3.343	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1	105300938	JVKZIPKAZMPWDT-JCMHNJIXSA-N	448.458	3.117	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCc3ccccc3)C2=O)cc1OC	8819403	WFGSVUKZLQRCRJ-UYRXBGFRSA-N	442.562	3.264	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccccn1	9221434	HYRKRYNQRYMCAT-VWLOTQADSA-N	428.492	3.455	10	40	IGCB	
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	409067964	FAZKSUODRBXGLD-CPNJWEJPSA-N	425.872	3.151	10	40	IGCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C	409392065	KPNUNOCYMQFVRH-YBFXNURJSA-N	444.447	3.162	10	40	IGCB	
COc1ccc(N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3C(C)(C)C)CC2)cc1	13503981	MNRQNCRKBPJECU-HSZRJFAPSA-N	449.603	3.414	10	40	IGCB	
CCCCn1c(CN2CCCc3cc(OC)ccc32)nc2cc(S(N)(=O)=O)ccc21	22015313	ZRZJMLFGKGXIOW-UHFFFAOYSA-N	428.558	3.445	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1Cl	59139650	ROPSHANKQFEESA-UHFFFAOYSA-N	445.928	3.133	10	40	IGCB	
CN1C(=O)/C(=C2/Sc3ccc(S(=O)(=O)C(F)(F)F)cc3N2C)SC1=S	6136054	JDUMLWMUTCPUPU-LUAWRHEFSA-N	426.488	3.181	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)SC1=S	9310594	PUBOWAVLMKJREH-CAOOACKPSA-N	429.475	3.280	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCC(=O)O	59135286	IFKNFOATIBXOBP-OQLLNIDSSA-N	428.372	3.195	10	40	IGCB	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	62223749	SPIULRWBJXLUDP-NRFANRHFSA-N	441.597	3.394	10	40	IGCB	
CCn1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1C	409108093	RSVORCRKQBGNLH-YVLHZVERSA-N	445.317	3.419	10	40	IGCB	
O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1c1ccc(O)cc1	51330771	QVSYEDHXTZBTRB-NVMNQCDNSA-N	438.486	3.411	10	40	IGCB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NNc2ccccc2)C1=O	408531523	KQDKNUOIWAFSJE-RVDMUPIBSA-N	429.274	3.095	10	40	IGCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)OC(C)C)cc2)C1=O	409188432	ZDQLTHWOTKIRLV-CPNJWEJPSA-N	436.464	3.246	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1sc(=S)n([C@@H]2CCS(=O)(=O)C2)c1O	143535738	NIIDHAAIESSRKR-OZYJXZHSSA-N	435.552	3.150	10	40	IGCB	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC(=O)N3CCOCC3)cc1)N2	408736285	PDDPOALYSAKBIY-NMMYMHLASA-N	434.492	3.449	10	40	IGCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccc(C)cc1	16406167	RKSLTSLPVHVVOU-UHFFFAOYSA-N	438.480	3.285	10	40	IGCB	
CN1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)CC1	20358082	DCTWDPVDVMVZFI-ZHZULCJRSA-N	438.509	3.392	10	40	IGCB	
CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169293559	ZPFBYZXLZPIINH-BILGYAHESA-N	449.551	3.305	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=O)NC2=S)cc1	408763021	GWBJMYKECSVYNZ-AQTBWJFISA-N	448.456	3.339	10	40	IGCB	
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1	8801038	QKBRJUALQCXBSJ-QFIPXVFZSA-N	443.613	3.420	10	40	IGCB	
COc1cccc2cc(C(=O)NC[C@H](c3ccc4c(c3)CCN4C)N3CCOCC3)oc12	38671962	PEILTMDJISAUMU-OAQYLSRUSA-N	435.524	3.237	10	40	IGCB	
COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96222844	SWHPAPBVIRCVCQ-AWEZNQCLSA-N	436.420	3.005	10	40	IGCB	biogenic
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1	225543404	WAFWXNCNISNAIN-LJQANCHMSA-N	447.576	3.389	10	40	IGCB	
C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)C1	225682076	OYYLJJHOEDTAPP-OAHLLOKOSA-N	431.583	3.315	10	40	IGCB	
CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1	260845622	VDINJYWGVJMGGJ-GOSISDBHSA-N	447.601	3.402	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1	8753836	MTGORLYFDVLCJU-SXGWCWSVSA-N	428.491	3.233	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(I)c3)C2=O)c1	9288376	ZFJXOXCAVPGANS-XNTDXEJSSA-N	432.217	3.266	10	40	IGCB	
C[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1	223187713	WRWOFBMCJYQZTJ-XMSQKQJNSA-N	429.586	3.487	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OCc1ccccc1	409390411	FGPCJIDNTWMYLI-CPNJWEJPSA-N	429.432	3.336	10	40	IGCB	
CCOC(=O)c1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)c1	48989066	ZJGPHCBSNAARIL-UHFFFAOYSA-N	444.484	3.392	10	40	IGCB	
COc1ccc(N2CCN(Cc3nc(N)nc(Nc4cc(Cl)ccc4C)n3)CC2)cc1	54147212	RXXRBMXBIVMXQC-UHFFFAOYSA-N	439.951	3.490	10	40	IGCB	
Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)cc1	59140114	KPPMCCGGTBOWSX-UHFFFAOYSA-N	446.532	3.187	10	40	IGCB	
COCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S	2247600	PIIUJFNLQLZPDM-YBEGLDIGSA-N	446.598	3.309	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccc(N(C)C)cc2)CC1	23080537	KVTGZCDABHUVFV-NRFANRHFSA-N	434.506	3.490	10	40	IGCB	
Cc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc2c(c1)OCCO2	28481996	NZGXSWVFLURSIW-UHFFFAOYSA-N	444.491	3.374	10	40	IGCB	
COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c([N+](=O)[O-])cc1OC	9569154	KETLTLGKZBDCOX-HXUWFJFHSA-N	442.516	3.245	10	40	IGCB	
COc1ccc(N2CCN([C@@H](CNC(=O)C(C)(C)C)c3ccc4c(c3)OCO4)CC2)cc1	15882020	SULSYGXTXQZKQK-NRFANRHFSA-N	439.556	3.450	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OC)C(=O)NC2=S)cc1	408761879	HOKGMIKVCHSNMY-GDNBJRDFSA-N	447.310	3.298	10	40	IGCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	408956431	WSQVIUJYHAWESE-GDNBJRDFSA-N	447.359	3.250	10	40	IGCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1	409192621	CWZJRZMHPRWBOS-CPNJWEJPSA-N	431.473	3.315	10	40	IGCB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(N2CCCC2)cc1	13647304	ZGDFOZGJOFWNEK-UHFFFAOYSA-N	443.569	3.010	10	40	IGCB	
Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1C	22735506	BFXJWECSNNUQOL-DEOSSOPVSA-N	443.613	3.038	10	40	IGCB	
CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c1	3204775	NQUIGKHPCSYCDQ-XSFVSMFZSA-N	427.526	3.128	10	40	IGCB	
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1	9138047	XJCZJYGWJVDVLN-VWLOTQADSA-N	448.611	3.337	10	40	IGCB	
COc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccc(O)cc4C(=O)O)cc3C2=O)c1	9436131	QSHSDHPWYDVCMF-UHFFFAOYSA-N	432.388	3.152	10	40	IGCB	
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1	61943440	NTQRMHAVZVAVFZ-INIZCTEOSA-N	436.512	3.112	10	40	IGCB	
Cc1cc(N2CCCC2)ccc1CN1CCc2c(O)nc(N3C[C@H](C)O[C@@H](C)C3)nc2C1	257310011	UDISDRQZQVBDFC-OALUTQOASA-N	437.588	3.263	10	40	IGCB	
Cc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408655991	FADFJUHZTNFAFU-ONTIZHBOSA-N	446.503	3.039	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CCc3c(C)c4ccc(OC)cc4oc3=O)CC2)cc1	9061289	HHLMIEHKERPCKB-UHFFFAOYSA-N	436.508	3.400	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cncn2)cc1	9189869	JHDFRZWGNWXOMQ-JCMHNJIXSA-N	448.458	3.117	10	40	IGCB	
CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1	13750566	HMTBATBOOPSTTI-CAZPATRMSA-N	438.556	3.432	10	40	IGCB	
O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc2ccccc12	16038604	VVBHFDONSYSNHM-BDTNDASRSA-N	436.467	3.241	10	40	IGCB	
CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S	28296886	VKVDZUQFFITHON-UIMCMNAESA-N	442.562	3.176	10	40	IGCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(O)cc3Br)C2=O)cc1	408982513	HLXWBTYNFRDMOI-ZSOIEALJSA-N	445.269	3.392	10	40	IGCB	
Cc1c(CC(=O)NC[C@@H](CC(=O)O)c2ccc(Cl)cc2)c(=O)oc2c(O)c(O)ccc12	8879039	MACWMRPJBXUQBG-CYBMUJFWSA-N	445.855	3.083	10	40	IGCB	biogenic
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	408859024	SBKPYAYSIQLKTD-FMIVXFBMSA-N	448.248	3.448	10	40	IGCB	
CN1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)C1=O	1202000	JBUFGSCNCNECNP-OQLLNIDSSA-N	433.233	3.259	10	40	IGCB	
COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1	1749058	VBVCQYDXIKSTFU-MHWRWJLKSA-N	445.478	3.158	10	40	IGCB	
CCN(CC(=O)NCc1cccs1)C(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	12536672	XMRANEKXWSHHOC-UHFFFAOYSA-N	442.629	3.335	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H](CO)Cc1ccccc1	13548221	VNPVKNYCEZFQGL-OKSBFYSISA-N	446.619	3.449	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OC	408947055	ZJIQIRJARTWSMN-RIYZIHGNSA-N	444.827	3.112	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(N)=O	409200038	FSQXYAJJMYKSEN-WOJGMQOQSA-N	428.535	3.351	10	40	IGCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC)C2=O)cc1OC	409212240	OFJFCTOLHUXIMH-GZTJUZNOSA-N	440.452	3.168	10	40	IGCB	
CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O	980489	GYWLRINBUYILCT-LSCVHKIXSA-N	428.466	3.422	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(N)=O	409214923	VGZFZDRHPQQDTI-LICLKQGHSA-N	432.498	3.494	10	40	IGCB	
COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1OC	1184324	JDCJNEXJJAGVLA-UVTDQMKNSA-N	447.310	3.298	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1C	9851582	NYKQPWPQGXWDQH-DEDYPNTBSA-N	429.432	3.459	10	40	IGCB	
COc1ccc(CCN(C)C(=O)C2CCN(Cc3cccc(OC)c3O)CC2)cc1OC	13941781	BTHLZNMGWDFYRH-UHFFFAOYSA-N	442.556	3.331	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCN(Cc2ccccc2)CC1	54360872	QBDZVOSUXMHGSJ-HKWRFOASSA-N	437.590	3.232	10	40	IGCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S	409206928	RHDGBALJLJCQSJ-PDGQHHTCSA-N	444.538	3.387	10	40	IGCB	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)N(CCO)Cc3ccccc3)C2=O)cc1	2454598	IJQBROJOFHANNN-UYRXBGFRSA-N	426.563	3.217	10	40	IGCB	
Cc1c(Cc2ccccc2Cl)c(=O)nc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n12	26842620	RQKBWDWNWBOZIF-NDENLUEZSA-N	437.952	3.283	10	40	IGCB	
O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1csc(-c2ccc(F)cc2)n1	95402539	RPUGZOQXLZDJCI-UHFFFAOYSA-N	433.530	3.264	10	40	IGCB	
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	408802312	YYLMJWDVYOFTHM-VGOFMYFVSA-N	445.815	3.322	10	40	IGCB	
O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Br)C(=O)N1	408879739	FDWFAPDEVFJWPV-UHFFFAOYSA-N	435.661	3.431	10	40	IGCB	
CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	4092588	ZPFBYZXLZPIINH-YGWSKSRPSA-N	449.551	3.305	10	40	IGCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C/NC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1C	16349983	BHJRYJDMDPTQAU-LCYFTJDESA-N	439.384	3.046	10	40	IGCB	
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Br)cc(OC)c1O	408817125	KQYHTOQIDYMJRZ-KRWDZBQOSA-N	447.285	3.492	10	40	IGCB	
Cc1ccc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	13483502	LDXIDWXNUJDJMV-JMPIQFJJSA-N	447.929	3.060	10	40	IGCB	
CCCOc1c(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCC	23100775	SBIAZZPGRQQBQL-UHFFFAOYSA-N	425.279	3.070	10	40	IGCB	
Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O	409191996	RZOJGHGYWLEDPT-QGOAFFKASA-N	431.473	3.315	10	40	IGCB	
C[C@@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2F)SC1=S	13573345	LZKSYCZNSFRBLX-KBXPJEPISA-N	444.553	3.135	10	40	IGCB	
CCN(CC)c1ccc(CN2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)c(O)c1	72347482	PQYWYNISLSSRJL-KRWDZBQOSA-N	425.577	3.116	10	40	IGCB	
COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21	408772141	BMYXNMLUDHTKJT-YBFXNURJSA-N	447.516	3.262	10	40	IGCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OCC)OCO4)C(=O)NC2=S)cc1	409091926	VUFNVGSRCAAIAX-SXGWCWSVSA-N	440.477	3.044	10	40	IGCB	
O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc([N+](=O)[O-])cc1	6474972	GREHMGAREXEEJC-UHFFFAOYSA-N	431.429	3.497	10	40	IGCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1	8818976	YJVXUECJSKEAMU-LIOBOASVSA-N	433.463	3.084	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCCC[C@H]2CCO)C1=O	9253401	HZKGJOFQEPQYBA-IYWFSZBXSA-N	434.583	3.050	10	40	IGCB	
CCCCOC(=O)c1c(NC=C2C(=O)OC(C)(C)OC2=O)sc(C(=O)OCC)c1C	35592629	XGSWARVMMGKFHK-UHFFFAOYSA-N	439.486	3.322	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1	222798395	BHHOZWPUMZQRAV-UHFFFAOYSA-N	447.601	3.402	10	40	IGCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)N(CC(=O)OC)C2=S)cc1	9296100	IQNFNTNKUCCXPH-UNOMPAQXSA-N	427.526	3.188	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])ccc1Sc1cccc2cccnc12	59488617	AECSRRQUUQCBHL-UHFFFAOYSA-N	436.474	3.209	10	40	IGCB	
Cc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc(C)c1OC(F)F	96935905	RFFFVNRUOYDQGC-RVDMUPIBSA-N	428.526	3.438	10	40	IGCB	
COC(=O)COc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)cc1	408874720	FTCXIZBJDAIHMV-QNGOZBTKSA-N	435.476	3.154	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	2899553	UXRCPRFZDYTSPT-CXUHLZMHSA-N	445.478	3.158	10	40	IGCB	
O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)Nc1ccc2c(c1)OCO2	3484909	TZQBXFHJTNLCKG-UHFFFAOYSA-N	431.400	3.276	10	40	IGCB	
COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1	9877442	XHDYCXJWQMQSDD-UHFFFAOYSA-N	436.486	3.436	10	40	IGCB	
C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	13572825	LPARQZPFHNRBKK-CYUIRQCWSA-N	430.526	3.480	10	40	IGCB	
C[C@@H](Oc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cn1)c1ccccc1	65549089	IKXDSFXESOSDKV-GOSISDBHSA-N	430.508	3.088	10	40	IGCB	
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1C	9993095	BNBALRLRSWQPBE-UHFFFAOYSA-N	444.443	3.405	10	40	IGCB	
Cc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1Cl	49004056	YISJTLHDFRZUMI-UHFFFAOYSA-N	436.892	3.413	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)CC	408532751	IWODZEIVJRFXFZ-KAMYIIQDSA-N	426.400	3.206	10	40	IGCB	
COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409010306	BXRUPQPMCYEHDR-UHFFFAOYSA-N	425.437	3.241	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1	409073974	OPLBVPFHQMMUOL-XDJHFCHBSA-N	448.456	3.121	10	40	IGCB	
CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S	8828391	VXBJRYRPUWOXJZ-CGPNOCOTSA-N	425.528	3.413	10	40	IGCB	
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(O)c(OC)c4)S3)CC2)cc1	9188210	PXQXGERMLYEKMA-ZHZULCJRSA-N	425.510	3.202	10	40	IGCB	
COc1ccc(N2CCN([C@@H](c3ccc(N(C)C)cc3)c3nnnn3C(C)C)CC2)cc1	13504324	MAOZIGYZLZLERU-QHCPKHFHSA-N	435.576	3.240	10	40	IGCB	
Cc1c(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)oc2c(O)c(O)ccc12	9348004	WLDUUDJWBONUQD-UHFFFAOYSA-N	428.872	3.057	10	40	IGCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	409091937	WAPKUKICLUMVSL-LFIBNONCSA-N	446.290	3.496	10	40	IGCB	
COc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc(OC)c1OC	8963209	JDSWGNIVEAFULJ-OAQYLSRUSA-N	439.556	3.272	10	40	IGCB	
O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1C[C@H]1CCCO1	10233265	KCTLDGGGNQAOFL-MCRQTXEHSA-N	441.578	3.452	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1	12543386	GSDRDWDCZLEUSL-DEOSSOPVSA-N	445.519	3.361	10	40	IGCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cccc(OS(C)(=O)=O)c4)C(=O)N=C3S2)c1	41076690	UHAKJRBKMSZYLH-XGMUFTHNSA-N	440.506	3.001	10	40	IGCB	
CCN1CCCc2cc(CN3CCc4nc([C@H]5CCN(C(C)=O)C5)nc(NC)c4C3)ccc21	257286927	PNRLBOVHVHIKDS-NRFANRHFSA-N	448.615	3.185	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC(C)=O	33632635	SCIHHDFAJRHSDN-DHDCSXOGSA-N	445.269	3.235	10	40	IGCB	
CCCCN1C(=O)/C(=C/c2c(N[C@@H](CC)CO)nc3c(C)cccn3c2=O)SC1=S	2363413	QNQCBEJLKDQLDL-HNDQUVLASA-N	446.598	3.187	10	40	IGCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1CCS(=O)(=O)O	8870213	BRKKDVLQZYHQSX-ATVHPVEESA-N	435.548	3.355	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C	408526456	BKBMMXIBOUSEIT-SDXDJHTJSA-N	430.512	3.196	10	40	IGCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1O	408812030	BXAGCKMRFHQMNV-OVCLIPMQSA-N	445.269	3.447	10	40	IGCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N(CCO)c3ccccc3)C2=O)cc1	8819143	NHGAWISXFVSKKY-RGEXLXHISA-N	442.562	3.312	10	40	IGCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12	18102011	SZOJRRCUUWFJAR-AHGVEAMXSA-N	428.583	3.316	10	40	IGCB	
COc1ccc(N2CN=C3S[C@@H](CC(=O)Nc4ccccc4)C(=O)N3C2)cc1Cl	72332989	SPXBESHEQUUKOX-KRWDZBQOSA-N	430.917	3.412	10	40	IGCB	
CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)[C@@H]1/N=N/c1ccc(C(=O)O)cc1	102942251	YJSUCHPDXXJAHQ-IUBFCHALSA-N	441.831	3.264	10	40	IGCB	
COc1ccccc1N1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2C(C)(C)C)CC1	13503978	CDYMTLOKDSMJJN-QHCPKHFHSA-N	449.603	3.414	10	40	IGCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OC(C)C	408904983	RLIJGNRVFHHUFK-UHFFFAOYSA-N	441.347	3.234	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	9310628	MIANOHNLPMKIKL-RIYZIHGNSA-N	447.450	3.077	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CCn3c(-c4ccc(F)cc4)n[nH]c3=S)CC2)cc1	12595255	DIRKSODLNPFDRQ-UHFFFAOYSA-N	441.532	3.494	10	40	IGCB	
CCN1c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc2C(=O)N2CCCC[C@H]21	97944079	MKKGSDHQGTVTJO-DEOSSOPVSA-N	448.567	3.450	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2	9514390	XSOLUCLTYUOSHU-XMMPIXPASA-N	449.463	3.108	10	40	IGCB	
CCOC(=O)C1=C(COC(=O)c2cc(C)n(-c3ccccc3)c2C)NC(=O)N[C@@H]1CC	12536381	KFEKXTWWXDNLQL-GOSISDBHSA-N	425.485	3.160	10	40	IGCB	
CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1	13008589	XSHMIAIQDIQYNH-NRFANRHFSA-N	426.586	3.149	10	40	IGCB	
CN(C)c1ccc(/C=C(\C(=O)N2CCN(Cc3ccccc3)CC2)n2ccccc2=O)cc1	20123537	CPNCURIBADXHJA-LKUDQCMESA-N	442.563	3.257	10	40	IGCB	
COC(=O)C[C@H](c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12)c1ccnn1C	96221270	NHQOFFCYTVQNJM-ZDUSSCGKSA-N	436.420	3.005	10	40	IGCB	biogenic
O=C(C1=CN(c2ccc3c(c2)OCCO3)c2ccccc2S1(=O)=O)N1CCCCC1	48988452	QXHJZJAEYOUAOU-UHFFFAOYSA-N	426.494	3.237	10	40	IGCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1	108287290	SRHOMZAMXFWRNI-WJDWOHSUSA-N	447.363	3.152	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1	409066696	PIDMBZXIWWGQHU-HKWRFOASSA-N	448.456	3.121	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(OC)c1OC	409140290	DIMHHTDAVXEHSP-RVDMUPIBSA-N	426.494	3.161	10	40	IGCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(O[C@@H](C)C(=O)O)cc1	108223925	MMRXYZUTHOQUAG-CPEHUTGBSA-N	445.475	3.407	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)c(O)c1	9045763	ZSEZUSJUTWPJMM-CHHVJCJISA-N	432.454	3.069	10	40	IGCB	
O=C(CN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S)NCCCn1ccnc1	9187697	LJODUCMYPMOMFO-LSQIQBGYSA-N	446.985	3.414	10	40	IGCB	
Cc1cc(C)n2nc(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc2n1	13101254	RPOSLXOQRNJBBU-UHFFFAOYSA-N	443.488	3.247	10	40	IGCB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2)C[C@H](C)O1	40146365	IYPZXKZTUNHTJW-ROUUACIJSA-N	443.569	3.337	10	40	IGCB	
Cn1c(SCC(=O)NCc2cc(Cl)c3cccnc3c2O)nc2ccccc2c1=O	41107896	MLSAPQGVWVLHGQ-UHFFFAOYSA-N	440.912	3.249	10	40	IGCB	
O=C1N=C(O)/C(=C/NCCCN2CCCCC2)C(=O)N1c1ccc(Br)cc1	102555656	ZBHLDVFBICFJMI-SSZFMOIBSA-N	435.322	3.222	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c(OC)c1	408960830	OMLYVZKTXOUQAO-XMHGGMMESA-N	435.480	3.361	10	40	IGCB	
O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1	409019233	QCVGNTNAPOHFJZ-LDADJPATSA-N	435.436	3.146	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3)N3CCOCC3)ccc21	16838273	ZRDADFGDLBGMBC-QHCPKHFHSA-N	443.975	3.291	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1	224956058	MENSPHIQWCZGQE-UHFFFAOYSA-N	447.601	3.041	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OC	408694217	GCUGAHCCDCMRQB-MDWZMJQESA-N	437.290	3.261	10	40	IGCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N(C)C)o3)C2=O)c1	408849102	UQRHTPOQSQHXML-NTEUORMPSA-N	448.273	3.173	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OC)c1C	408967889	XXXGPNLHVNHDQA-XNTDXEJSSA-N	445.269	3.441	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3c(C)n(-c4ccccc4)[nH]c3=O)C(O)=NC2=S)cc1	2305332	JSAYAGXNYIBGCG-LDADJPATSA-N	434.477	3.154	10	40	IGCB	
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1C	8801006	ZAQKESIUMRNCOS-QFIPXVFZSA-N	429.586	3.111	10	40	IGCB	
CC(C)C[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O	12032601	IXEPFFXVFWQURN-QIAMAEBCSA-N	432.567	3.450	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)CN2CCOCC2)c2ccccc12	101267597	FGZRYFQVUKZIRU-VCOZGABYSA-N	444.535	3.141	10	40	IGCB	
COc1cc(/C=C2\SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)ccc1O	9191750	BLPQJMVBPWUIIR-UYRXBGFRSA-N	440.481	3.102	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S	15220086	YRNZNBUYBPDJFQ-SXGWCWSVSA-N	430.463	3.460	10	40	IGCB	
COc1ccc(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1	224337685	IXPGTJVJXRPADJ-UHFFFAOYSA-N	445.585	3.158	10	40	IGCB	
COc1cc(Br)ccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O	408535368	SLETUTPFDIWOKW-JLHYYAGUSA-N	430.258	3.345	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)NCCCn1ccnc1	9187738	DQMFDZCJCCYJNO-GHRIWEEISA-N	432.546	3.210	10	40	IGCB	
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)N1CCC(C)CC1	408703240	PFLWOMUGFIRVSU-UHFFFAOYSA-N	432.498	3.097	10	40	IGCB	
CCC(=O)NCCc1c(/C=C2\C(=O)N=C(O)N(c3cccc(F)c3)C2=O)[nH]c2ccccc12	2418077	JPGNGOOGASTQFZ-QGOAFFKASA-N	448.454	3.247	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccccc1	6906854	DEUMGSQWRUVWIM-MHWRWJLKSA-N	429.475	3.200	10	40	IGCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	408804076	COFYLWPESZCSAW-MHWRWJLKSA-N	425.397	3.059	10	40	IGCB	
Cc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1Cc1ccccc1	41084359	ZEFUECQBWLAFNO-RYEIUNSYSA-N	448.552	3.062	10	40	IGCB	
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1F	13008017	CYUTZAJGDSDWQT-QHCPKHFHSA-N	438.547	3.408	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)COc2ccc3ccccc3c2)c2ccc(N(C)C)cc2)CC1	22664958	UEJFSXIZCUJVFF-SANMLTNESA-N	446.595	3.390	10	40	IGCB	
Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C	22665928	ANYJFJIDCVLAOD-QFIPXVFZSA-N	431.602	3.030	10	40	IGCB	
O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)Nc1ccccc1	3239450	JDZHSXFGYYMWBP-UHFFFAOYSA-N	432.479	3.050	10	40	IGCB	
O=C(NCCc1ccccc1)C(=Cc1ccc(O)c(O)c1)C(=O)NCCc1ccccc1	3260849	PMOMCRXHLMXDIY-UHFFFAOYSA-N	430.504	3.199	10	40	IGCB	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCc3ccccc3C1)c2NCCO	9354890	UBELLLFUFCXLTC-UHFFFAOYSA-N	426.472	3.065	10	40	IGCB	biogenic
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(C(=O)c2cccs2)CC1	10907392	JOHMYDSMSBOWFD-UHFFFAOYSA-N	427.570	3.096	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COc3ccc4c(C)c(C)c(=O)oc4c3C)CC2)cc1	11867252	CGQKOFBPFXPPRC-UHFFFAOYSA-N	436.508	3.454	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1	33364296	CXXPVGYDJMXBHP-GZTJUZNOSA-N	430.507	3.259	10	40	IGCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)nn(Cc3ccccc3)c2C)C1=O	408996587	IXWSQVQGJSOLFK-CPNJWEJPSA-N	429.480	3.435	10	40	IGCB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	9612414	LJCUOVOISLOFGH-LLVKDONJSA-N	434.360	3.147	10	40	IGCB	
CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	89919343	UIFJSZIGMHLFPS-DEOSSOPVSA-N	431.577	3.301	10	40	IGCB	
Cc1c(N/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)c(=O)n(-c2ccccc2)n1C	103092738	IWGQCVNAPZVRGO-PDGQHHTCSA-N	449.442	3.038	10	40	IGCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N(C)Cc3ccccc3)nc12	2289395	CLHXZNHGFQFTPV-ATVHPVEESA-N	436.562	3.470	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1OC	13714060	HWYBVFXNFVJJHL-GDNBJRDFSA-N	445.478	3.158	10	40	IGCB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1	107654065	ADQRPVHZURQKST-CIAFOILYSA-N	446.463	3.308	10	40	IGCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C	408692178	GLEGIIZZHPALFM-CPNJWEJPSA-N	435.480	3.285	10	40	IGCB	
CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	408800739	PATNGLZSAIAALO-LICLKQGHSA-N	425.397	3.059	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1I	10906925	FBZRXWQMNXDZIT-UHFFFAOYSA-N	436.293	3.400	10	40	IGCB	
CN(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccccc3)CC2)cc1	20139440	DZDPKRNGUBXXKE-QHCPKHFHSA-N	433.604	3.401	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1	408896555	OHKSGKLHAPTLFK-UHFFFAOYSA-N	430.913	3.459	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1	409214390	XEDGOQZCRCDQMI-XSFVSMFZSA-N	428.448	3.155	10	40	IGCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(CC)s3)C2=O)cc1	8819119	HJWDQRMMXQGYHK-LCYFTJDESA-N	434.568	3.339	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N(CCO)Cc1ccccc1	8819275	WDJCYDCJFNJJQG-XMHGGMMESA-N	444.553	3.438	10	40	IGCB	
O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1cccc2c1C(=O)c1ccccc1C2=O	9120617	FVHQTIFDWWPUMG-UHFFFAOYSA-N	443.411	3.029	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S	9429650	CMBWITDROXRTAX-MDKXCRPYSA-N	446.481	3.458	10	40	IGCB	
CCn1c(SCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nnc1-c1ccco1	12637468	APUWUWVLOXOQIO-UHFFFAOYSA-N	441.557	3.145	10	40	IGCB	
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O	109026855	XGIGQFDKQDLOBM-YBEGLDIGSA-N	443.253	3.349	10	40	IGCB	
COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O	409237164	HWEKYYBYZKFLCJ-UNOMPAQXSA-N	427.888	3.278	10	40	IGCB	
COC(=O)C1=C(C)N2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1	41074368	UIEZPMAUAXHVQD-UJADIJFVSA-N	437.433	3.355	10	40	IGCB	
Oc1ccc(CCNc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1O	72313919	COWMYFBMNUHMCO-UHFFFAOYSA-N	426.542	3.078	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	13576233	LJPDNGLTOJRRMX-CHHVJCJISA-N	432.454	3.069	10	40	IGCB	
Cc1ccc(O)c(CN2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)c1	19133471	IAOHBOGXEWCPBF-JOCHJYFZSA-N	448.571	3.284	10	40	IGCB	
COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNCc3ccc4c(c3)OCO4)c2oc1=O	20591858	QEPFAYPKVOTUOT-UHFFFAOYSA-N	445.855	3.194	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4c4nc(C)nn34)CC2)cc1	21601314	ZTSOSXTVMVEAAQ-UHFFFAOYSA-N	448.552	3.035	10	40	IGCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)C1	223299690	LYHNLZBIVYEGJX-GOSISDBHSA-N	447.576	3.140	10	40	IGCB	
CC[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	2395906	WOKBVVULXVMIPK-XSLGSPGOSA-N	430.508	3.284	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	9429779	YEJQHGKKZSSASN-MHWRWJLKSA-N	428.491	3.320	10	40	IGCB	
Cc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1C	13648628	GFJYVJUIIIMMAH-LJQANCHMSA-N	429.586	3.375	10	40	IGCB	
CCN(CC)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)cc1	11859302	XCUBUHGHBHQVCH-SQGPQFPESA-N	436.434	3.032	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N(C)C)ccc21	13008615	ZLGNETRJVPQIIG-FQEVSTJZSA-N	432.927	3.219	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1	13042225	GRFZJQHIPYJOCQ-UHFFFAOYSA-N	437.565	3.382	10	40	IGCB	
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C(=O)O)c1	107937340	NJDJVFIDDLNXEY-XSFVSMFZSA-N	444.443	3.434	10	40	IGCB	
O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccccc1	409042270	MBPZHYWARDPSEL-HMMYKYKNSA-N	441.443	3.371	10	40	IGCB	
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(OC)c(OC)c1)C3	9344278	UOQPFZJUCLHFDB-UHFFFAOYSA-N	439.464	3.499	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	9429463	ULMVMMPYBXOFLN-SYEOYNTFSA-N	446.481	3.458	10	40	IGCB	
COc1ccc(N2CCN(C[C@H](O)COCCOc3ccccc3C(C)C)CC2)cc1	23224710	RAWDFDKUMWAASR-QFIPXVFZSA-N	428.573	3.397	10	40	IGCB	
CC[C@H](C)N1C(=O)/C(=C\N(CCN2CCOCC2)Cc2ccccc2F)SC1=S	32046756	RRPIOYKEDSSNEG-DAMBIUFKSA-N	437.606	3.460	10	40	IGCB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(N2CCOCC2)n1	225956767	HUEFJRQCABTVDU-UHFFFAOYSA-N	432.981	3.053	10	40	IGCB	
C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1	260746397	WRWOFBMCJYQZTJ-GCJKJVERSA-N	429.586	3.487	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	8861068	ZOJDDYRENYSNHN-FQEVSTJZSA-N	445.475	3.169	10	40	IGCB	
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)c(OC)c(O)c1O	66087927	WKJHAFKBKCPAKZ-LBPRGKRZSA-N	442.399	3.217	10	40	IGCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1cccc(F)c1	409140462	FJWFTVXIRIGOKM-YBFXNURJSA-N	443.500	3.128	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OC(C)C	96193318	PWTLDJACGWANKW-UNOMPAQXSA-N	443.525	3.326	10	40	IGCB	
COc1ccc(N(C)CCC(=O)N2CCO[C@H](c3cccc(-c4ccc(N)nc4)n3)C2)cc1	257235400	GXRDZARGBOFQQC-QHCPKHFHSA-N	447.539	3.161	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCN(c2ccccc2)CC1	8820271	NXIZWFFWKJUKCI-OBGWFSINSA-N	427.551	3.220	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)NCCCn1ccnc1	9187766	XNTNGHDBAAPYLO-FOWTUZBSSA-N	434.974	3.334	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1C(=O)OC	112290312	USCFQXWZXJSUGY-MOSHPQCFSA-N	425.416	3.264	10	40	IGCB	
O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl	409044916	DIJNJQWZHFFBGZ-YRNVUSSQSA-N	435.219	3.123	10	40	IGCB	
CCCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)O	8870098	OZBMGPLFCFUMRR-XYGUXCPDSA-N	436.555	3.046	10	40	IGCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1	103918136	PJHHPCYMJJVMBB-ZHZULCJRSA-N	430.505	3.040	10	40	IGCB	
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1c(C)nn(C)c1C	408755782	FLYCEBNBJVCVMT-OQLLNIDSSA-N	435.269	3.360	10	40	IGCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC	408941439	WOUVXSMBKFKISR-SFQUDFHCSA-N	438.436	3.239	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)NCCc2ccc(O)cc2)C1=O	9429897	XCAMVXYQFUMYFM-RMENWYJGSA-N	442.562	3.349	10	40	IGCB	
CCOC(=O)Cc1cc(=O)oc2c(CN3CCN(c4ccc(C)cc4)CC3)c(O)ccc12	1610081	KBQDTKPLFIAEIG-UHFFFAOYSA-N	436.508	3.235	10	40	IGCB	
COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1	2338260	YTPIUKMYXMXLJE-PDGQHHTCSA-N	437.448	3.368	10	40	IGCB	
COc1ccc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1	13893000	MRXXRXLDXFMDBN-GDNBJRDFSA-N	431.242	3.133	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3oc4ccc(OC)cc4c3C)CC2)cc1	24770975	FAWINGRZOJSCFD-UHFFFAOYSA-N	438.480	3.264	10	40	IGCB	
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1-c1ccccc1	30958214	JZUKEOLWJMAZNF-UHFFFAOYSA-N	429.567	3.302	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OC	408954027	QYPISZSPBGRRFG-AWNIVKPZSA-N	444.827	3.142	10	40	IGCB	
COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1	1777822	QBYWGGUWSPKNEJ-MHWRWJLKSA-N	445.478	3.158	10	40	IGCB	
Cc1ccccc1N1C(=O)/C(=C/c2cccc(I)c2)C(=O)NC1=S	16362862	LAYFANNADWWPPT-GXDHUFHOSA-N	448.285	3.431	10	40	IGCB	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)NCc3cccc(NS(N)(=O)=O)c3)c2C)cc1	32754839	BRBOHBJALXSARN-FMIVXFBMSA-N	438.553	3.348	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COc3cc(C)nc(-c4ccc(F)cc4)n3)CC2)cc1	35537593	YFYUVIVCFHABTR-UHFFFAOYSA-N	436.487	3.327	10	40	IGCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1	109122674	IXFRTQGWLYTHMM-RGEXLXHISA-N	429.388	3.275	10	40	IGCB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21	408534454	SKYAQMOBIMZWRY-SXGWCWSVSA-N	426.479	3.191	10	40	IGCB	
C[C@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc2O1	408710903	VQAVAIHNYSVFJH-YAFRSCOQSA-N	427.254	3.439	10	40	IGCB	
Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1C	408805881	IAMJPPYHQWPEEK-UHFFFAOYSA-N	429.270	3.394	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C2=O)c(C)c1	8691031	PYXQLMXUCZHQES-STIKNRRDSA-N	433.512	3.205	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/C=C\c2ccco2)SC1=S)N[C@@H](CO)Cc1ccccc1	33539597	JSYINGQEFHTYCG-QSATZSLESA-N	442.562	3.147	10	40	IGCB	
COC(=O)C1=CN(c2cc(Cl)c(OC)cc2OC)c2cc(F)ccc2S1(=O)=O	64979216	MAEKJPKEXXUSRU-UHFFFAOYSA-N	427.837	3.436	10	40	IGCB	
CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)N2CCc3ccccc32)S1(=O)=O	219196029	PXGNQISUHHXMDK-UHFFFAOYSA-N	428.510	3.194	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1C(=O)O	9347933	RAZLOQKOKQZIDO-YBEGLDIGSA-N	428.491	3.320	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N[C@@H](Cc1ccccc1)C(=O)O	8870065	QRFGAWCTRRHICF-AATZCTEQSA-N	440.546	3.090	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc(OC)c1OC	9972480	ZAFBUGDTNJRAKG-ZENNRRHLSA-N	425.528	3.413	10	40	IGCB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N(CC)CC)cc1	225675832	HYLRDNSDHUWDAV-QFIPXVFZSA-N	447.601	3.402	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1	409015038	RMCMTFGWXQILNO-CPNJWEJPSA-N	448.460	3.225	10	40	IGCB	
CCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S	9462021	YQDHISDVHIZHFE-QINSGFPZSA-N	432.571	3.143	10	40	IGCB	
CC(=O)Nc1ccc(N2C(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)SC2=S)cc1	9972494	YVORPVWVOHNVEM-ZCXUNETKSA-N	437.502	3.314	10	40	IGCB	
CCOC(=O)C1=C(COC(=O)c2cc(C)n(-c3ccccc3)c2C)NC(=O)N[C@H]1CC	12536382	KFEKXTWWXDNLQL-SFHVURJKSA-N	425.485	3.160	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1	224496337	CVZMQCTVASGOQU-GOSISDBHSA-N	447.601	3.321	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1	225509265	DRGUTXWAWQBBNB-OAHLLOKOSA-N	439.528	3.282	10	40	IGCB	
COc1ccc(N2CCN(c3cc(SCC(=O)NCc4ccccc4)ncn3)CC2)cc1	49006854	RZLQYKHVFUCMHF-UHFFFAOYSA-N	449.580	3.220	10	40	IGCB	
C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCCCC4)cc2)CC3)C[C@@H](C)O1	72347289	HUHBLGCBPSQADE-KDURUIRLSA-N	437.588	3.344	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@H]6[C@H]34)CC2)cc1	100744643	PRAIGGPCHKMTSE-WIRXJKMXSA-N	440.584	3.343	10	40	IGCB	
Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1-c1ccc2c(c1)OCO2	3445580	ZKEFGBQPQBUQIF-UHFFFAOYSA-N	446.419	3.324	10	40	IGCB	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1	8765087	UFJBQTDYBXBKTJ-LJQANCHMSA-N	435.524	3.109	10	40	IGCB	biogenic
O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N[C@@H](CO)Cc1ccccc1	9252661	GMJPBMAKHSTTNO-LVSMMTLPSA-N	446.981	3.261	10	40	IGCB	
Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c(C)c1	22735511	SDHWXRUVGKIWDS-QHCPKHFHSA-N	443.613	3.038	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Br)o3)C2=O)cc1Cl	9075955	ZWJYTTJXBYQGHW-YFHOEESVSA-N	425.622	3.371	10	40	IGCB	
CC[C@H](C)N1C(=O)/C(=C/N(CCN2CCOCC2)Cc2ccccc2F)SC1=S	30819348	RRPIOYKEDSSNEG-JQSQVVPISA-N	437.606	3.460	10	40	IGCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OC(C)(C)C)C2=O)o1	107920287	DWCIMMIHZVTOJF-BOPFTXTBSA-N	441.484	3.402	10	40	IGCB	
COC(=O)c1cccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	408551228	MOUIWXNVGLZOKJ-LCYFTJDESA-N	433.848	3.009	10	40	IGCB	
CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)sc(C)c1C	408998954	JONDHSGQHCAUJY-DHDCSXOGSA-N	429.498	3.041	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccccn1	9221435	HYRKRYNQRYMCAT-RUZDIDTESA-N	428.492	3.455	10	40	IGCB	
O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C/c1cccc([N+](=O)[O-])c1	9271757	TZHMZLBYHYKZDJ-QGOAFFKASA-N	439.453	3.296	10	40	IGCB	
CCC(=O)NCCc1c(/C=C2/C(=O)N=C(S)N([C@H](C)CC)C2=O)[nH]c2ccccc12	9312733	DMMSJBWVRYFOOI-OPCAMPFDSA-N	426.542	3.073	10	40	IGCB	
CN(CCc1ccc(O)c(O)c1)C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S	28296898	HHHRFOUNAHJAQA-MHWRWJLKSA-N	434.564	3.062	10	40	IGCB	
COc1ccc(OC)c(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2SCCC3)c1	2965885	YNTYQROMCMVVLH-NRFANRHFSA-N	437.488	3.476	10	40	IGCB	
CCOc1ncccc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	8824638	MNSVZOXIEFRDBY-UHFFFAOYSA-N	430.416	3.051	10	40	IGCB	
CCNc1nc(NCC)n2c(SCC(=O)c3cccc(Br)c3)nnc2n1	11025974	QYSLODQLZSTNIS-UHFFFAOYSA-N	436.339	3.120	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N(CCO)Cc1ccccc1	12139848	FALKSVKVKFSFCO-GHRIWEEISA-N	432.592	3.361	10	40	IGCB	
CN(C)c1ccc([C@@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1	13638277	FIRLPZSJMZVNJC-JOCHJYFZSA-N	427.512	3.439	10	40	IGCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC)C2=O)cc1	408803935	UYYWEWXGDFKPTE-LFIBNONCSA-N	428.828	3.192	10	40	IGCB	
CSc1ncccc1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	9138920	ZUVYEAVRRKFNIW-UHFFFAOYSA-N	432.457	3.374	10	40	IGCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)c(OC)c1	9189868	QMEGFVVTCPSKCH-STZFKDTASA-N	439.468	3.364	10	40	IGCB	
C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	10113215	IIYSLOMBDOMIKM-QGZVFWFLSA-N	433.549	3.287	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H](CO)Cc1ccccc1	13572310	BKXBETLCHYVZNX-ZJYZBMPFSA-N	444.553	3.137	10	40	IGCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCOC)nc3ccc(C)cn3c2=O)SC1=S	16805815	VUKKELVGIVVTQI-NWFCWYBLSA-N	432.571	3.061	10	40	IGCB	
CN1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1	216948564	KVMXCHFKXRIIAW-UHFFFAOYSA-N	428.385	3.365	10	40	IGCB	
Cc1ccc(CN(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1	222583786	OKGRPQTYVYUJOX-UHFFFAOYSA-N	429.586	3.063	10	40	IGCB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O	409090456	POBIPCUWWDGRGP-FHXOWUIVSA-N	434.514	3.292	10	40	IGCB	
Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccccn1	409209964	JZJVIDYYYFCVOU-XDHOZWIPSA-N	433.443	3.160	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1	2247667	OVHBMFIKTGOILG-RCCKNPSSSA-N	430.464	3.218	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S	9430136	KDRHPXARYADUMY-PFMRQGHBSA-N	434.520	3.380	10	40	IGCB	
Cc1cc(C(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c(C)n1-c1ccccn1	22808992	RWFVDONALPHBFT-UHFFFAOYSA-N	430.552	3.425	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccc(O)c(O)c1	33585023	OFEYRWHMZBEORA-ATVHPVEESA-N	448.591	3.500	10	40	IGCB	
Cc1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(C)n1-c1ccc(Cl)cc1	48325799	QJMFLEHXWZFPGY-SFHVURJKSA-N	429.948	3.459	10	40	IGCB	
CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O	223356527	FAXTZGGALSTRFB-JOCHJYFZSA-N	447.601	3.402	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1	13552947	UWBWOZGVDHPVJF-CPNJWEJPSA-N	432.392	3.061	10	40	IGCB	
CCOc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1OCC	23055776	DQKNVEFCZYVYLZ-UHFFFAOYSA-N	448.950	3.310	10	40	IGCB	
COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)cc1	57416607	YJNCWWMXRISTJK-HNNXBMFYSA-N	431.895	3.189	10	40	IGCB	
CCCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)N(C)C1=O	575443065	SDQONNPTZIDUJZ-UITAMQMPSA-N	446.095	3.131	10	40	IGCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C	223680775	VXFWCWLBYAFHFG-FGZHOGPDSA-N	435.553	3.420	10	40	IGCB	
COC(=O)c1cc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Cl	408532198	PXHJBTJDIGKVPD-FMIVXFBMSA-N	434.235	3.359	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1cccc(C)c1	408804750	HEHAAIJYUMLVMW-UHFFFAOYSA-N	445.269	3.095	10	40	IGCB	
COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)OCO2	409070554	CCYFWECUYUYAFS-WCIBSUBMSA-N	435.219	3.397	10	40	IGCB	
O=C1N=C(O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C(=O)N1Cc1ccc(F)cc1	1294901	WCMPLFHQNHAKLO-KGENOOAVSA-N	436.487	3.383	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCCn1ccnc1	9187763	JOJJKKIUVOUXQZ-LGMDPLHJSA-N	432.546	3.210	10	40	IGCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1	16694895	HVZXQGGDSDUAQD-KNGSKEOJSA-N	447.490	3.474	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCCCC3)ccc21	23858035	IVRJEMQPWJNNHG-JOCHJYFZSA-N	442.510	3.239	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	33585617	RBQCWYGAWXZNIB-SXGWCWSVSA-N	446.481	3.460	10	40	IGCB	
C[C@@H](C(=O)N1CCCC[C@H]1C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	54360685	GQBHOXAXOWXNQF-BNBULKTBSA-N	438.958	3.395	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C2=O)cc1C	101229605	CRTIKYSSKDQUGQ-PXLXIMEGSA-N	432.524	3.024	10	40	IGCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O	409106186	MLAYADFZLXQIRA-SFQUDFHCSA-N	437.521	3.135	10	40	IGCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)o1	108099992	FGMTWCVJNLKJDQ-ODLFYWEKSA-N	435.436	3.272	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2cccc3c2OCO3)SC1=S)Nc1ccc(O)cc1	8820679	QASYZCSTDLWKDK-MHWRWJLKSA-N	428.491	3.351	10	40	IGCB	
CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21	15277572	VGNXSJKGRLRVPQ-SMTRIPRVSA-N	430.460	3.229	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4C(=O)C(C)C)CC2)cc1	19085744	JPBJEYVSGLUFIJ-RUZDIDTESA-N	437.584	3.486	10	40	IGCB	
COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1	22589156	UUYYEVFHNWLELS-NRFANRHFSA-N	430.980	3.133	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1NC(=O)c1ccccc1	409209998	HQUYCOFRVRMPMT-UDWIEESQSA-N	446.438	3.294	10	40	IGCB	
COc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O	409379701	ZOIICABLHLJHDH-UYRXBGFRSA-N	429.542	3.344	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	1838612	GLXGWPHVTUZBAE-GDNBJRDFSA-N	432.479	3.304	10	40	IGCB	
Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2cc(Cl)ccc2O)CC1	19291263	AQUSHFIZKXQVED-NRFANRHFSA-N	430.911	3.322	10	40	IGCB	
CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc3c(c1)CCN3C(C)C)CC2	257227254	FOISFZLJEGLGDO-NRFANRHFSA-N	448.615	3.183	10	40	IGCB	
O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl	408846087	IJASIJCAIFIALC-NTUHNPAUSA-N	435.219	3.123	10	40	IGCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N(C)C)o3)C2=O)c1	408855659	FUMUUIKGEFATJE-RIYZIHGNSA-N	432.274	3.391	10	40	IGCB	
CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N(C)C1=O	9007575	CQERMRGLUDDJOG-UHFFFAOYSA-N	434.202	3.051	10	40	IGCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OC)c1	409239158	GSHNUWZOSPIYEO-GXDHUFHOSA-N	430.844	3.341	10	40	IGCB	
COC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c2ccccc21	2304768	QZPHLPLNHVQFKM-LZYBPNLTSA-N	447.403	3.050	10	40	IGCB	
Cc1cc(/C=C/C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1	8729301	GWHMFVDGVYLUSH-SFWMKUFASA-N	442.581	3.302	10	40	IGCB	
Cc1ccc(N2C(=O)CN(c3ccc(OC(C)C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1C	11903817	ZGSCRSIKUAOTKE-FCHUYYIVSA-N	428.554	3.109	10	40	IGCB	
CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1	13632203	DQMIHCNVFUFRLH-UHFFFAOYSA-N	433.549	3.289	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)cc1	3555807	UQIFJTSBANRXML-MRXNPFEDSA-N	428.554	3.387	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)NC1=S	409171717	FTZQXFQZJJWFEA-XYOKQWHBSA-N	432.885	3.197	10	40	IGCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1C(=O)O	16922463	RQUJSPYHWOXZNX-GUSDSWBTSA-N	440.502	3.487	10	40	IGCB	
COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	32186349	BVSKYGDAOOXKOG-ZSOIEALJSA-N	445.269	3.441	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1	9934881	BLAPAQUJTDHBTK-CPNJWEJPSA-N	447.472	3.015	10	40	IGCB	
COc1c(Br)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Br	12465943	FQDZCLKZQZLGPM-BJMVGYQFSA-N	434.109	3.327	10	40	IGCB	
CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)N=C1O	13895900	XJWOXDUPNULLBT-DHDCSXOGSA-N	425.353	3.198	10	40	IGCB	
O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)c1	8821703	KAPLNCYVVSNERR-ZSOIEALJSA-N	425.447	3.365	10	40	IGCB	
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NN1CCCC[C@H]1c1cccnc1	9371052	BPYSPHOCVLMALG-UETJRYKRSA-N	439.585	3.131	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@]45[C@@H](CC[C@@]6(C)O[C@H]64)[C@H](C)CC[C@@H]35)CC2)cc1	61997604	BALNINAJAHCEHC-FWKVPWGDSA-N	440.584	3.343	10	40	IGCB	biogenic
CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12	409129287	GARQDDFZQVDBBL-LTKMBJGESA-N	443.594	3.330	10	40	IGCB	
Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cccnc1	409209784	IQZFVDOSKRNESM-RGVLZGJSSA-N	433.443	3.160	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1O	409251301	UUCYTGBGPOEIRT-AWNIVKPZSA-N	432.885	3.203	10	40	IGCB	
CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc3c(c1)CCCN3C)C2	19707314	QADPABLFFFBVDD-QHCPKHFHSA-N	434.588	3.142	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc2c(cc1Br)n(C)c(=O)n2C	408529377	JIIZTYZROPJGJD-KAMYIIQDSA-N	440.301	3.358	10	40	IGCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1nnc(-c2ccccc2)s1	8440839	DVRGBUVMVZAXNA-UVTDQMKNSA-N	425.857	3.437	10	40	IGCB	
CCCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1	17287089	CXUWTTGUNQDDDG-HSZRJFAPSA-N	448.608	3.084	10	40	IGCB	
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O	23673861	GTUAAADDXRIXIT-KOSHJBKYSA-N	428.577	3.049	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COc3cc(C)nc(-c4ccc(C)cc4)n3)CC2)cc1	35537574	DBIFCHIEOICGOZ-UHFFFAOYSA-N	432.524	3.497	10	40	IGCB	
Cc1cccc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1	220142531	XWBVCIDPIXMEJP-LJQANCHMSA-N	429.586	3.456	10	40	IGCB	
COC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1	20358414	MCJLNQAFMBCOOS-UHFFFAOYSA-N	438.480	3.133	10	40	IGCB	biogenic
CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)cc1	41085300	GNELYECONPMJSE-XGMUFTHNSA-N	447.586	3.180	10	40	IGCB	
CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)[C@@H]1/N=N\c1ccc(C(=O)O)cc1	104315412	YJSUCHPDXXJAHQ-ANEHGGCBSA-N	441.831	3.264	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12	408960945	JZHXQXJQNDLBAC-PXLXIMEGSA-N	428.492	3.306	10	40	IGCB	
COc1ccc2c3c(n(-c4ccc(C(N)=O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O	1547138512	BPUMJVUOTBWRBJ-UHFFFAOYSA-N	426.428	3.318	10	40	IGCB	biogenic
COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc1ccc(Cl)cc1Cl	830334	QURVESYKHOOCQA-UHFFFAOYSA-N	437.304	3.495	10	40	IGCB	
CCC(=O)NCCc1c(/C=C2/C(=O)N=C(O)N(C3CCCCC3)C2=O)[nH]c2ccccc12	17205958	HLWNZVQSILWUNI-JXAWBTAJSA-N	436.512	3.236	10	40	IGCB	
C[C@@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	78970678	GLFQIKNQUZMTKT-CQSZACIVSA-N	425.444	3.248	10	40	IGCB	
CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O	8870175	RRNKJKKLSUKDKD-CFUGXXKRSA-N	432.567	3.450	10	40	IGCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1	408694545	JLNKHYGYFMYWHM-XSFVSMFZSA-N	447.491	3.417	10	40	IGCB	
O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)O)cc2)C(=O)N1	409072749	DFGQHPJXPRYBNR-UHFFFAOYSA-N	435.219	3.020	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(O)c(C(=O)O)c1	8972069	ZJDZYOHACZDVSR-CHHVJCJISA-N	432.454	3.069	10	40	IGCB	
CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br	9311659	NZCZIQLDHULBOM-ZROIWOOFSA-N	448.317	3.486	10	40	IGCB	
COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2ccc(OC)c(Cn3cccn3)c2)c1	19552647	CGTCYFXGFRFGPN-QPPBQGQZSA-N	438.503	3.197	10	40	IGCB	
CCCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-]	32099532	IEXXASSOLFLVDN-YVLHZVERSA-N	425.441	3.470	10	40	IGCB	
O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Br)cc2)C2=[N+]1CCCS2	9369196	NHWSTUXNALXGNK-HXUWFJFHSA-N	448.362	3.391	10	40	IGCB	
Cc1noc(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	12508350	RAQRCKBIYDDBAG-UHFFFAOYSA-N	425.463	3.032	10	40	IGCB	
NC(=O)C1CCN(c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)CC1	78869144	MYIFDVZWVNQMRT-UHFFFAOYSA-N	427.448	3.208	10	40	IGCB	
CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cc(N3CCCCC3)ccc2OC)C1	257304586	SMHZPQDXEKCMDR-VWLOTQADSA-N	436.556	3.001	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Br)c1O	409243538	SFRQNQAULHIIEG-KPKJPENVSA-N	447.310	3.303	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1cccs1	2121713	FXNGJECYSKUOFV-RIYZIHGNSA-N	435.504	3.262	10	40	IGCB	
CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c1	9908227	AYCQUYRNYRIGDV-XSFVSMFZSA-N	433.489	3.413	10	40	IGCB	
CCOC(=O)c1c(NC(=O)C[C@@H](NCc2ccccc2)C(=O)O)sc2c1CCCC2	10186429	BFQYYWUHSKXABQ-MRXNPFEDSA-N	430.526	3.375	10	40	IGCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)ccc1OCC(=O)O	13800587	CYZGFQFHPFPBCH-ZSOIEALJSA-N	446.868	3.484	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc1	408819570	XUJUIJCNGKJPNB-OQLLNIDSSA-N	430.844	3.422	10	40	IGCB	
COc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)CC2)cc1	11856784	YYGHDFWTNFTGEI-UHFFFAOYSA-N	438.455	3.329	10	40	IGCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1	33385782	NLYABZNAYYDMTJ-BOPFTXTBSA-N	447.363	3.152	10	40	IGCB	
COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(OC)c1	408551956	PREOASOJCREMGE-XFXZXTDPSA-N	435.864	3.240	10	40	IGCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)cc1	409136618	SCCNRXGPOYNKNO-LICLKQGHSA-N	428.466	3.392	10	40	IGCB	
COC(=O)C(C(=O)OC)c1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3	1092781	SWWPLEYBHQTTBQ-UHFFFAOYSA-N	430.210	3.231	10	40	IGCB	
Cc1c(/C=C2/C(=O)NC(=S)N=C2O)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1	3212668	FJSLKEPNTAAFGQ-UHFFFAOYSA-N	434.433	3.142	10	40	IGCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3n[nH]c(=O)c4ccccc34)c2C)cc1	9715944	SJOLKSKMRKOBFY-UHFFFAOYSA-N	445.475	3.308	10	40	IGCB	aggregator
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1)Nc1ccc(F)cc1	35128734	MNZWLXZZPBGHKB-STZFKDTASA-N	431.423	3.305	10	40	IGCB	
COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccccc3OC)C2=O)c1	13777235	CSZJZARRYKBVRJ-BOPFTXTBSA-N	430.507	3.259	10	40	IGCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\NN(C)c3ccccc3)C2=O)c(C)cc1Br	408535890	UKQNMIZIQWSDDV-RVDMUPIBSA-N	443.301	3.174	10	40	IGCB	
CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21	408817694	WVZZKTHGZOOIKT-CPNJWEJPSA-N	431.448	3.179	10	40	IGCB	
CCN1C(=O)/C(=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)C(C(=O)OC)=C1C	408821163	DBMHCIBXQHKDDS-ZHZULCJRSA-N	426.513	3.207	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/NC[C@@]3(C)C[C@@H](O)CC(C)(C)C3)C2=O)c(C)c1	5577630	PDEHXAAANCOGQN-HGUXVYHRSA-N	427.545	3.245	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1ccc(O)c(O)c1	28296890	NRLOYBVXWMPBAE-QGOAFFKASA-N	428.535	3.048	10	40	IGCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)cc1	8819572	LXVYKLKRKADVEG-PTNGSMBKSA-N	445.522	3.390	10	40	IGCB	
CN(C)c1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	9458567	OCWJKVPUJHHZDD-LJQANCHMSA-N	436.961	3.001	10	40	IGCB	
COc1ccc(N2CCN(c3cc(SCC(=O)NC4CCCCC4)ncn3)CC2)cc1	49006852	ZVTQGCRBMCKDRK-UHFFFAOYSA-N	441.601	3.353	10	40	IGCB	
CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)S1	408531782	QWCUGTSMWVHMCM-YVLHZVERSA-N	429.885	3.464	10	40	IGCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)c1	408965767	LVLZYQLOAMBUJM-DEDYPNTBSA-N	429.432	3.459	10	40	IGCB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	409100664	WBQVBPGAXHVXSX-LDADJPATSA-N	427.913	3.008	10	40	IGCB	
CCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1[N+](=O)[O-]	859989	FZNXGXXPBNDROF-AUWJEWJLSA-N	431.832	3.425	10	40	IGCB	
Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1ccc2c(c1)OCCO2	8747239	QSVMMSFYLFYYNC-UHFFFAOYSA-N	431.452	3.103	10	40	IGCB	
CCOC(=O)c1sc(NNC2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S2)nc1C	17221812	QTTBBTAPWAAFNE-XYOKQWHBSA-N	433.471	3.123	10	40	IGCB	
Cc1ccc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)c(O)c1	19133815	KUKRZZYJXACFQQ-NHCUHLMSSA-N	437.588	3.221	10	40	IGCB	
Cc1nc([C@H]2CCCCN2Cc2ccc(N3CCOCC3)c(F)c2)ncc1C(=O)N(C)C	19765689	LPNGASYFMNPELM-JOCHJYFZSA-N	441.551	3.190	10	40	IGCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccccc3)c3ccccc23)C(O)=NC1=S	59087102	LUDWGOFWRCDUAL-XDHOZWIPSA-N	446.532	3.445	10	40	IGCB	
CCOc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)sc2c1	408532095	POQVPPOKVAFREP-ZRDIBKRKSA-N	442.884	3.927	10	40	IGCB	
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	409069542	LJLDVPNUTQQJPG-XDHOZWIPSA-N	425.872	3.151	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	9216090	CTDDCMQIYIVAJZ-CHHVJCJISA-N	432.454	3.069	10	40	IGCB	
O=C(COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1)Nc1cccc(F)c1	33696066	SQTPUTIXOWJOOG-BKUYFWCQSA-N	431.423	3.305	10	40	IGCB	
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1)Nc1ccccc1F	35128725	JFRPGWRLBXPVCK-RGEXLXHISA-N	431.423	3.305	10	40	IGCB	
COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@H]3C2=O)cc1	101025777	GNMSAOWUQQBDTJ-FKBYEOEOSA-N	444.443	3.230	10	40	IGCB	
CCc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)C(=O)NC2=S)cc1	409369474	BXSFTSFDFKEQSF-OQLLNIDSSA-N	441.465	3.006	10	40	IGCB	
CCN(CC)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)cc1	6144503	XCUBUHGHBHQVCH-HLIPFELVSA-N	436.434	3.032	10	40	IGCB	
CN(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1	8171899	XUGXPUQVSSTGPH-SAPNQHFASA-N	427.570	3.082	10	40	IGCB	
CCN(CC)c1ccc(CN(C(=O)c2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1	9159278	MGFODPBCOFWLPS-NRFANRHFSA-N	430.570	3.371	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1	9379522	GITWWBCBFBVACU-FMIVXFBMSA-N	447.579	3.434	10	40	IGCB	
Cc1ccc(Sc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)cc1	20205665	KCBIZCOZQUUWCA-CXHQGSNTSA-N	446.535	3.360	10	40	IGCB	
CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)[C@@H]1/N=N/c1ccc(C(=O)O)cc1	102977505	MGZMNVCGRSQUDH-IUBFCHALSA-N	441.831	3.264	10	40	IGCB	
COc1ccccc1/N=N\c1c(S(=O)(=O)O)cc2cccc(S(=O)(=O)O)c2c1O	105018389	UCFQDOZLTUVRPL-HNENSFHCSA-N	438.439	3.463	10	40	IGCB	
CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(NC(C)=O)=NC3=O)cc2)cc1	408756199	YBJBLNHDAJBITI-UNOMPAQXSA-N	439.493	3.209	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OC)C(=O)NC2=S)c(OC)c1	409099549	UCUAJQDLYULYKK-NTEUORMPSA-N	432.885	3.197	10	40	IGCB	
O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1c1ccc(O)cc1	9419257	QVSYEDHXTZBTRB-GIJQJNRQSA-N	438.486	3.411	10	40	IGCB	
COc1cc(/C=C2/SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)ccc1O	15401550	BLPQJMVBPWUIIR-CPNJWEJPSA-N	440.481	3.102	10	40	IGCB	
COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	22733652	AMDVJZQHVIMPNI-QFIPXVFZSA-N	442.991	3.059	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nc(N)c4c(C)c(C)sc4n3)CC2)cc1	32776952	GWYQRRXANCWOBT-UHFFFAOYSA-N	443.598	3.340	10	40	IGCB	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NC(=O)NCc1ccco1	9126705	OXWFNVXYUMEXAV-UHFFFAOYSA-N	442.497	3.052	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2c(F)cccc2Cl)c2ccc3c(c2)CCN3C)CC1	22733675	SPZCCYIAFFZONO-OAQYLSRUSA-N	430.955	3.190	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C(O)=NC2=S)cc1	33155151	PLZLDMPGHCIAIT-LICLKQGHSA-N	435.461	3.406	10	40	IGCB	
CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S	8828388	VXBJRYRPUWOXJZ-VXWPTKDQSA-N	425.528	3.413	10	40	IGCB	
CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(C)cc4O)nn3c(O)c2C1	100234005	DBAAMNZUKXKXPK-OAQYLSRUSA-N	449.555	3.471	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1O	9311331	RAJICWUWWRHINE-AUWJEWJLSA-N	445.269	3.447	10	40	IGCB	
C/C(NN1CCN(C)CC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	17098080	ZMDKUTOERTYXSH-SILNSSARSA-N	432.553	3.073	10	40	IGCB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	222696723	CYNDPCXMNUWGRE-IBGZPJMESA-N	429.586	3.483	10	40	IGCB	
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O	409093891	BMLDUILBQSOKIS-XSFVSMFZSA-N	435.549	3.280	10	40	IGCB	
CN(C)c1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1	943940	OPRNKVGFEOBUFJ-VBQJREDUSA-N	429.489	3.083	10	40	IGCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=N)N21	20205705	VQDLDHIPRKTYCC-GHZHVEGCSA-N	434.886	3.221	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(O)cc1C(=O)O	13574377	KAQPOPBWGHTETI-VIZOYTHASA-N	432.454	3.069	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	28330198	KHZGGULMJCWLCE-IBGZPJMESA-N	445.560	3.143	10	40	IGCB	
COC(=O)Cc1c(C)c2cc(CNc3ccc(OC)cc3OC)c(O)c(C)c2oc1=O	30769043	OTGASWRUVBHXCO-UHFFFAOYSA-N	427.453	3.460	10	40	IGCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccccc2C)C(=O)N=C1O	102599099	ZUPYAIJZYJKEEH-BLMOFCDVSA-N	446.463	3.157	10	40	IGCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1	8820689	VPJQDJBPBIFDSD-QINSGFPZSA-N	427.507	3.098	10	40	IGCB	
CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	100051460	SOHDXWQRPBWYOO-FZFLATATSA-N	440.821	3.175	10	40	IGCB	
CCOC(=O)/C=C(\NC(=O)Nc1ccc(C)cc1)N1CCN(c2ccc(OC)cc2)CC1	100218127	ZTNDROMEOLJBQD-OQKWZONESA-N	438.528	3.352	10	40	IGCB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=S)N(c4ccccc4F)C3=O)cc21	408536368	ZBQCMRDIEJGUBS-LZYBPNLTSA-N	444.469	3.330	10	40	IGCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc([N+](=O)[O-])c1O	27501275	OYSVWFBEXPCQGO-XGICHPGQSA-N	431.788	3.467	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1	59426752	UZGLBARBLGJVKE-WUXMJOGZSA-N	446.213	3.038	10	40	IGCB	
CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)ccc21	222906919	BXHKXNDVIBXQJQ-UHFFFAOYSA-N	427.570	3.455	10	40	IGCB	
CCN1CCCc2cc(CN3CCc4nc([C@@H]5CCN(C(C)=O)C5)nc(NC)c4C3)ccc21	257286928	PNRLBOVHVHIKDS-OAQYLSRUSA-N	448.615	3.185	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)c(OC)c1	409231101	BMQGQXPYUQXGRS-LDADJPATSA-N	446.463	3.173	10	40	IGCB	
COc1ccc(N(C)CCC(=O)N2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1	257235441	GXWBOLYKCQAIQK-NRFANRHFSA-N	448.527	3.050	10	40	IGCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)c1	408744297	ZJDKULLMDBSULC-RIYZIHGNSA-N	447.310	3.385	10	40	IGCB	
COc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1OCC(=O)O	409328909	AFFGSJGWBMHHNU-FRKPEAEDSA-N	445.474	3.293	10	40	IGCB	
CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)CC1	32956460	SBYAKOCHVHFVTP-UHFFFAOYSA-N	446.345	3.444	10	40	IGCB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C	409238093	YZDHCHZREXSDCW-YBFXNURJSA-N	444.447	3.162	10	40	IGCB	
Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(S(=O)(=O)CC(C)C)SC2=NC1=O	41085254	VFHYBKANEOYAEQ-CLFJUMGRSA-N	429.527	3.124	10	40	IGCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)c(Br)o1	408694904	NUCGJVXRUBVESA-WEVVVXLNSA-N	432.068	3.209	10	40	IGCB	
Cc1c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C	48235256	VHUKWCQRRJDPCW-FQEVSTJZSA-N	436.512	3.403	10	40	IGCB	
CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	408551610	OPJYERDCQLJSDT-UVTDQMKNSA-N	447.875	3.400	10	40	IGCB	
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)NNC(=O)c3cc(N(C)C)ccc32)cc1	5486314	CKEUPSPJMSPTRI-UHFFFAOYSA-N	429.568	3.425	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nc(C)c(C)n3C[C@@H]3CCCO3)CC2)cc1	22131520	GJTJJYMSGXXOIO-NRFANRHFSA-N	444.601	3.128	10	40	IGCB	
CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC	98087021	GJOPKNWSTRDCJW-KPKJPENVSA-N	446.344	3.231	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1	9234444	XSCGNRRJLSGRTN-BOPFTXTBSA-N	446.371	3.009	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)SC1=S	35343144	PUBOWAVLMKJREH-IUXPMGMMSA-N	429.475	3.280	10	40	IGCB	
C[C@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)O	59678292	LACJNFGLGQXQIO-YAFRSCOQSA-N	430.869	3.023	10	40	IGCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	408743777	YCHCGICFBIERIL-RIYZIHGNSA-N	432.255	3.189	10	40	IGCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Br)cc3)C1=O)OCO2	408962923	LEJKWYYOBYXQMM-VGOFMYFVSA-N	429.226	3.153	10	40	IGCB	
O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCO2	8738213	DJMSAOYGEAMZOU-UHFFFAOYSA-N	430.441	3.318	10	40	IGCB	
CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1	260843154	OEXWLSBGCFVXJG-UONOGXRCSA-N	437.591	3.162	10	40	IGCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)Nc1ccccc1	409055538	JCPNYBBZTXPFLF-RCCKNPSSSA-N	441.443	3.371	10	40	IGCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)S1	409089182	HTGYKZQEBNOUON-MHWRWJLKSA-N	436.898	3.214	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	9429466	ULMVMMPYBXOFLN-NUEDXCKTSA-N	446.481	3.458	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	9429616	ZFMBMLHIWJAWTN-CXUHLZMHSA-N	446.481	3.460	10	40	IGCB	
CCOC(=O)c1c(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)sc2c1CCCC2	16683079	SWSJIUPBLINBRR-NTCAYCPXSA-N	439.493	3.382	10	40	IGCB	
COc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4c(C)cc(C)cc4C)C3=O)sc2c1	408531027	KCBFFMVSURTPST-XNTDXEJSSA-N	436.493	3.809	10	40	IGCB	
CCOc1ccccc1/C=C1\C(=O)NN(c2ccc(I)cc2)C1=O	1022719	XRUVBWYKRLIONN-RVDMUPIBSA-N	434.233	3.151	10	40	IGCB	
CS(=O)(=O)Oc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1	13809701	QPQPQZIJUQDDHF-ALGNWURXSA-N	425.491	3.329	10	40	IGCB	
Cc1cc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccccc1	103060347	LDMLEHQHLXAYRS-RLLQIKCJSA-N	434.492	3.160	10	40	IGCB	
CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O	2252888	KHOVAHCDTVWWRM-KWZJRMENSA-N	444.582	3.143	10	40	IGCB	
O=S1(=O)CC[C@@H](N2CCN(Cc3cc(Cl)cc(C4CCCCC4)c3O)CC2)C1	48353549	PNRAJNWDHCILQH-LJQANCHMSA-N	427.010	3.398	10	40	IGCB	
O=C(C1=CN(c2ccc(F)c(F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1	48990226	GSNNCNLRQGSLMJ-UHFFFAOYSA-N	440.855	3.244	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OC	108123476	JJHNONMBANFKGA-NTUHNPAUSA-N	449.257	3.111	10	40	IGCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)c1	409136778	ZLPKDPTXDHVGFZ-RQZCQDPDSA-N	428.466	3.310	10	40	IGCB	
CCN1C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N(CC)C1=S	409207833	AXRSUKNZSNMPFQ-UHFFFAOYSA-N	426.454	3.161	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1OC	9191940	ADKOPRODQQNVRG-BKUYFWCQSA-N	427.432	3.495	10	40	IGCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C	408529797	IAGGFEPEJQXCIJ-WJDWOHSUSA-N	440.301	3.358	10	40	IGCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O)N1CCOCC1	408572664	HPEHUSBWWMHYKS-RGEXLXHISA-N	440.546	3.330	10	40	IGCB	
Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C	408955083	VXXDUTDOCQFKIC-WOJGMQOQSA-N	429.432	3.489	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)ccc1OC(C)C	409168744	SENPNLSDSYVDRY-RVDMUPIBSA-N	426.494	3.322	10	40	IGCB	
Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1	12438515	CJUDCXPXRABIST-HCWKHTBGSA-N	428.583	3.316	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1OC	16769967	SEQGNRUSDSRUOS-YVLHZVERSA-N	430.507	3.249	10	40	IGCB	
Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)c2ccccc2)c1O	26786637	UGADOVUQVFCWRF-UHFFFAOYSA-N	448.478	3.242	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)NCCc3ccccc3)C2=O)cc1OC	27530646	WFGSVUKZLQRCRJ-CPNJWEJPSA-N	442.562	3.264	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OC	33778142	FLJUQYATKPMZBG-YRNVUSSQSA-N	432.317	3.142	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	108586674	DFDDHMANJOQADP-AUWJEWJLSA-N	447.450	3.077	10	40	IGCB	
CC(=O)c1cccc(N2C(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)SC2=S)c1	8821636	YKWDGBMWAXXFID-ZCXUNETKSA-N	438.486	3.096	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CCCOc3ccc(C(C)=O)cc3OC)CC2)cc1	40128920	OPVRGNONDIFOMW-UHFFFAOYSA-N	426.513	3.414	10	40	IGCB	
COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2C)c1	101472774	NHHFMISDVCXASG-MOSHPQCFSA-N	437.452	3.377	10	40	IGCB	
O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccc(F)cc1	102731409	CXIGYYIIAPOMCB-PCCBWWKXSA-N	449.394	3.491	10	40	IGCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C(=O)O)cc1	223579621	USTSDYZFNMONKL-LEWJYISDSA-N	436.537	3.152	10	40	IGCB	
COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	408549823	ZSUJLGMFJJMYQA-OQLLNIDSSA-N	445.269	3.441	10	40	IGCB	
CCc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)OC)c4ccccc34)C(=O)NC2=S)cc1	9311339	CSPWUBBQZQEPHK-UNOMPAQXSA-N	447.516	3.208	10	40	IGCB	
Cc1cc(C)c(O)c(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1	49605859	QNPKWKCBWPUUKI-UHFFFAOYSA-N	445.404	3.340	10	40	IGCB	
Cc1cc(C(=O)[C@H](C)OC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(Cl)cc1	9157482	PVCYKIAPWCWXCM-AWEZNQCLSA-N	445.903	3.192	10	40	IGCB	
O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CC(=O)N2CCCC2)c2ccccc12	9601614	NOFZQWASIQQVCL-XSFVSMFZSA-N	448.523	3.058	10	40	IGCB	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)cc1	22664865	FVGZCURIXIVRKX-HXUWFJFHSA-N	432.908	3.118	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=O)cc1	59417339	AKWQQWSRAIDFGV-XNTDXEJSSA-N	431.242	3.133	10	40	IGCB	
O=C1CCCN1CCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100408684	ILIZFKLSEWAJRA-VAWYXSNFSA-N	437.447	3.047	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)NC1=S	409173402	MELFTOHVMJCZIO-FOWTUZBSSA-N	448.456	3.485	10	40	IGCB	
COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O	8440534	QVVBEGQLFYFZOW-NVNXTCNLSA-N	445.269	3.447	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)C(=O)NC2=S)cc1	9424329	LIYBQSRRAHJTGC-MOSHPQCFSA-N	432.505	3.329	10	40	IGCB	
Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2c1	20207081	NCEXSNHFOFCFKU-OKIZQULLSA-N	443.554	3.432	10	40	IGCB	
CCCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccc(CC)cc3)C2=O)cc1[N+](=O)[O-]	32099530	CWNKKIDAIAMFOO-BOPFTXTBSA-N	425.441	3.416	10	40	IGCB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc3ccccc3c1)C1(C(=O)c3ccccc3C1=O)N1CCC[C@H]21	247748650	RGCAOYBSJNTRJU-YPAWHYETSA-N	436.467	3.241	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)SC2=S)c(OC)c1	8821623	SQSPCIRCONKBQN-ZCXUNETKSA-N	440.502	3.373	10	40	IGCB	
CCOC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1/SC(=S)N(CCC(=O)O)C1=O	13726354	FOPHPIYDGQANAK-NTEUORMPSA-N	434.495	3.029	10	40	IGCB	
COCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S	20310840	UFIFYQSRENARLS-JXAWBTAJSA-N	429.567	3.309	10	40	IGCB	
CC(=O)N1CCN(c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)CC1	32956453	XHIQDOLEAQBVCD-UHFFFAOYSA-N	432.318	3.135	10	40	IGCB	
COc1ccc(/C=C2/C(=N)N3N=C(c4ccc5c(c4)OCO5)SC3=NC2=O)cc1OC	9346153	LDRFMRBGUSHKKV-QCWDLWPJSA-N	436.449	3.100	10	40	IGCB	
CN(C)c1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccccc3)CC2)cc1	20139437	DZDPKRNGUBXXKE-HSZRJFAPSA-N	433.604	3.401	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc(OC)c1OC	27530412	ZAFBUGDTNJRAKG-DGGAMASNSA-N	425.528	3.413	10	40	IGCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1	408943033	XUVWXDBPJGGCDA-LDADJPATSA-N	435.823	3.495	10	40	IGCB	
COc1ccccc1OCCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21	6287824	ORBJAFIEKVFTPC-UHFFFAOYSA-N	449.532	3.328	10	40	IGCB	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCCN1C(=O)CSC1=S	9589272	DUDAPWUBCKKCSA-UHFFFAOYSA-N	446.394	3.080	10	40	IGCB	
CCOC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC	33792820	BVCMEPPWJLSQIA-GPLLRDDGSA-N	444.871	3.140	10	40	IGCB	
CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)c1	9126921	BCCIIFOEGMNFOM-GOSISDBHSA-N	425.466	3.348	10	40	IGCB	
CCOc1cccc2ccc(/C=C3/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)nc12	13730886	RBEZIAUSVSKIAW-LERPTODRSA-N	446.506	3.153	10	40	IGCB	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3)c3ccco3)CC2)cc1	16953912	WZCVOLNHHIHDIK-JOCHJYFZSA-N	441.553	3.130	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1sc(=S)n([C@@H]2CCS(=O)(=O)C2)c1O	143535546	NIIDHAAIESSRKR-CKXDQPNJSA-N	435.552	3.150	10	40	IGCB	
O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1	409058718	SRCGSUILQUTXNI-UHFFFAOYSA-N	436.207	3.230	10	40	IGCB	
CCCCOc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC	13426872	IKTKGLKLMCNYQZ-FMNVXAMXSA-N	441.596	3.262	10	40	IGCB	
CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc3c(c1)CCCN3C)C2	19707315	QADPABLFFFBVDD-HSZRJFAPSA-N	434.588	3.142	10	40	IGCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)OC	409087429	CLXPTRDHRMAYSK-XGHPXPSOSA-N	437.539	3.017	10	40	IGCB	
CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1OC	1254906	JQUCRQAGMGUEMW-BOPFTXTBSA-N	430.507	3.346	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N(C)C)ccc21	8963927	DUJIFANKIZWXCO-LJQANCHMSA-N	434.462	3.055	10	40	IGCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1	9126820	VVFPUINBTPHBMH-IBGZPJMESA-N	441.578	3.400	10	40	IGCB	
COc1cc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc(OC)c1O	9188901	AFYGHLKIHJAGED-ZHZULCJRSA-N	439.537	3.198	10	40	IGCB	
CN1C(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])SC1=S	16158163	RSURAZSOXXIGCI-GXDHUFHOSA-N	436.492	3.194	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1	223924204	BTIORKNASZDWGH-UHFFFAOYSA-N	445.585	3.256	10	40	IGCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C1=O	409059820	XPGCFHAKBGWMEC-AWNIVKPZSA-N	449.246	3.432	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)ccc1N1CCOCC1	409238593	AZJWBCDGQPRTGU-DTQAZKPQSA-N	441.940	3.316	10	40	IGCB	
Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)N[N@@H+](c1nc3ccccc3s1)C2=O	669458772	BMWFXSPRYOHMMZ-UHFFFAOYSA-O	442.524	3.188	10	40	IGCB	
O=C1N=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1cccs1	943756	RWDGWBWVGRRCPV-VBKFSLOCSA-N	428.495	3.085	10	40	IGCB	
Cc1cc(/C=C/C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1	8729300	GWHMFVDGVYLUSH-AAPCUUHVSA-N	442.581	3.302	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)ccc1OCC(=O)O	9188772	DWUVJPGHIKASAS-PDGQHHTCSA-N	445.518	3.439	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc2c(c1)CCC2	9205840	YJFFIZHRVBZLRM-UHFFFAOYSA-N	445.475	3.350	10	40	IGCB	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccccc3)c3ccco3)CC2)cc1	16953909	WZCVOLNHHIHDIK-QFIPXVFZSA-N	441.553	3.130	10	40	IGCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	33489203	LDOVWSPMMVTVHH-MOSHPQCFSA-N	444.443	3.434	10	40	IGCB	
CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	34690871	UFYQFAYGAYTTDH-RGEXLXHISA-N	430.530	3.164	10	40	IGCB	
C[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1	223654236	PDWHLJKAMSKQPA-GOSISDBHSA-N	445.585	3.329	10	40	IGCB	
CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccco2)[C@@H](c2ccccc2O)C1	9060541	RDYDTYWXKKOADS-GOSISDBHSA-N	425.466	3.348	10	40	IGCB	
CN1CCCc2cc(/C=C3\SC(=S)N(NC(=O)c4ccccc4O)C3=O)ccc21	9422341	MBAGJFXPJCVMCC-PDGQHHTCSA-N	425.535	3.321	10	40	IGCB	
CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)sc(C)c1C	408993454	DBZAXYHIONPGAQ-UHFFFAOYSA-N	443.525	3.383	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)NCCc3ccc(O)cc3)C2=O)cc1	13572819	SSYIEPCZWYASRH-QIQQCEGHSA-N	442.562	3.349	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1	224439007	SWPLEEYUKKSRFM-UHFFFAOYSA-N	437.993	3.264	10	40	IGCB	
Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1Cl	1213135	BAMBZOKPMNUEFY-LICLKQGHSA-N	447.834	3.253	10	40	IGCB	
CCCn1ncc2c(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc(C3CC3)nc21	36616240	XSBAEHPIGBLQDZ-UHFFFAOYSA-N	432.572	3.401	10	40	IGCB	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1	225873801	UEHOYROFWPGAER-UHFFFAOYSA-N	431.558	3.147	10	40	IGCB	
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S1	408752634	FQWFZTJYNDFFJP-MFOYZWKCSA-N	429.885	3.464	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/NC(=S)Nc3cccc4ccccc34)C2=O)cc1	408527498	DPGBTQGLBJLQNZ-AQTBWJFISA-N	446.488	3.302	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N(C)C)o3)C2=O)c1C	408854078	XCBUSFQVHLHVNW-MDWZMJQESA-N	432.274	3.391	10	40	IGCB	
CCc1cccc2c(/C=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3O)cn(CC(N)=O)c12	59087166	AWGUSPYPAXYQQX-YBFXNURJSA-N	430.464	3.191	10	40	IGCB	
COc1cc(/C=C/C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(OC)c1OC	72306530	MASHTSPYSTZXRX-FNORWQNLSA-N	444.503	3.142	10	40	IGCB	
O=C(COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1)N1CCOCC1	409329494	GOSAPEBCULJYFB-RGEXLXHISA-N	446.594	3.458	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1Br	1058027	CQANXVSSXWQNHC-FMIVXFBMSA-N	431.242	3.133	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C(=O)N=C2S)c1	103229403	KDIRVQGKGFKULS-QNGOZBTKSA-N	434.565	3.292	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1	223124891	NPABZODXQOGADY-UHFFFAOYSA-N	443.613	3.391	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/NC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1C	100101818	IQEMFRBMRQXFRO-UNOMPAQXSA-N	436.512	3.038	10	40	IGCB	
COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O	409193360	JODHDARWXHMFSH-PDGQHHTCSA-N	432.457	3.378	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1	9260343	DUEXXGKDBQSAFY-UYRXBGFRSA-N	448.460	3.225	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1OC	16769969	BMVJCRXOQQZNIN-MFOYZWKCSA-N	430.507	3.249	10	40	IGCB	
CCOC(=O)C1(O)CCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1	72308411	NTEJQZNUNFUYIW-UHFFFAOYSA-N	436.911	3.459	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1	409199759	DGDFBKSOZYHSSV-KGENOOAVSA-N	442.475	3.464	10	40	IGCB	
CC(C)c1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1	8590106	LNDPWIHENPHLMN-QFIPXVFZSA-N	444.597	3.471	10	40	IGCB	
CN1CCN(C2=NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)CC1	20358256	UDIGZAXCMGKMGJ-ZHZULCJRSA-N	438.509	3.392	10	40	IGCB	
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	12591621	CFLCCBZYFNFIAW-KRWDZBQOSA-N	433.549	3.141	10	40	IGCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1	33670883	APRRSHBNUXEUMB-JXAWBTAJSA-N	429.388	3.275	10	40	IGCB	
O=C(O)CCc1ccc2c(c1)CN(Cc1cccc(F)c1O)CC(=O)NCCCCCO2	643572906	OIEZDHKNEFWYAN-UHFFFAOYSA-N	444.503	3.230	10	40	IGCB	
O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1cccc([N+](=O)[O-])c1	8870264	XBTCXJQOCZXYKG-ZROIWOOFSA-N	425.451	3.017	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1c[nH]c2ccc(F)cc12	33586036	FOBKGBQXNTZASU-MFOYZWKCSA-N	429.498	3.460	10	40	IGCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)NC2=O)cc1OC	211963792	UNQMZMCNFZITBN-LICLKQGHSA-N	430.507	3.210	10	40	IGCB	
Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1	408654362	BKBLGLAGGGQEBN-FKBYEOEOSA-N	446.503	3.039	10	40	IGCB	
COc1ccc(N2CCN([C@H](CNC(=O)C(C)(C)C)c3ccc4c(c3)OCO4)CC2)cc1	15882021	SULSYGXTXQZKQK-OAQYLSRUSA-N	439.556	3.450	10	40	IGCB	
CCCn1c(O)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21119783	VVHSWNVEIXJMOI-GFCCVEGCSA-N	436.493	3.288	10	40	IGCB	
CCOC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O	59136438	DQDNGJVALOWDMV-SDNWHVSQSA-N	428.441	3.439	10	40	IGCB	
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C	9135457	CQPHYRBBRICKAZ-OAQYLSRUSA-N	428.964	3.388	10	40	IGCB	
C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	13552704	WLGMICKLCKTWOF-CYUIRQCWSA-N	430.526	3.480	10	40	IGCB	
COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O	16226487	RZUMQCVVNWSAQA-XFXZXTDPSA-N	435.274	3.428	10	40	IGCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC(C)C	33728791	LRZJTDHYNLRZND-SXGWCWSVSA-N	444.871	3.140	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)cc1	409098309	PTNJKBCOHDHVRA-XSFVSMFZSA-N	445.431	3.241	10	40	IGCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NN3CCOCC3)C2=O)cc1	8819792	RRNGCOZRKDXJPI-SDXDJHTJSA-N	433.599	3.120	10	40	IGCB	
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C	9135425	YIOXZJWOVJHJRS-OAQYLSRUSA-N	428.964	3.388	10	40	IGCB	
COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccccc4)n3)CC2)cc1	9573701	MHEDVWKARLVJOG-UHFFFAOYSA-N	436.537	3.295	10	40	IGCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3C)C(=O)NC2=S)cc1	408548304	FYZSNBAUXFZLSZ-GZTJUZNOSA-N	426.494	3.242	10	40	IGCB	
CN(C)c1oc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br	408849784	ZDFKENHBIFVMPS-KPKJPENVSA-N	438.665	3.428	10	40	IGCB	
CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=S	409127311	HEVQQGOYERSJOC-ODLFYWEKSA-N	443.594	3.357	10	40	IGCB	
CC(C)[C@@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S	9429467	ROZSAQRUGNDIAV-HACRMJJDSA-N	444.578	3.225	10	40	IGCB	
COc1cc(CN/C=C2\C(=O)N=C(S)N(CCC3=CCCCC3)C2=O)cc(OC)c1	103126861	UBNYBAMYCZJHMT-XMHGGMMESA-N	429.542	3.222	10	40	IGCB	
CCOc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c1	9260413	AYCQUYRNYRIGDV-ZHZULCJRSA-N	433.489	3.413	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)N2CCCC[C@@H]2C(=O)O)C1=O	13576179	CSTRTHXJMQDGFF-WIZMWCRPSA-N	448.566	3.142	10	40	IGCB	
CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	107829334	BFIPFKIBYWBYGG-ZROIWOOFSA-N	432.230	3.217	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nncn3CCc3cccs3)CC2)cc1	32865502	JGWODRNITBWZLI-UHFFFAOYSA-N	443.598	3.032	10	40	IGCB	
CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)s1	223463754	XZBDLEKKPPKSCF-UHFFFAOYSA-N	430.511	3.164	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCc1ccc(O)cc1	9429268	YSXOWFKAEHVJTQ-AQTBWJFISA-N	430.526	3.482	10	40	IGCB	
COc1cc(/C=C2/SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)ccc1O	15401548	YQFILONIINLJCQ-CPNJWEJPSA-N	440.481	3.102	10	40	IGCB	
CCOc1ccc(NC(=O)C[C@@H]2SC3=NCN(c4ccc(OC)cc4)CN3C2=O)cc1	72332988	OYSZJDQKSQWPIA-IBGZPJMESA-N	440.525	3.158	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C(=O)N=C2S)cc1	103226708	HQOHPCKOSDZPEC-QNGOZBTKSA-N	434.565	3.292	10	40	IGCB	
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1	224097780	VMCIJQYAVABJIR-UHFFFAOYSA-N	439.537	3.492	10	40	IGCB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O	409216062	HQUYPWPOTYVZKY-VGSSETLESA-N	428.466	3.390	10	40	IGCB	
O=C(O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21	3772391	GEJFKTJVNCKWAT-NTEUORMPSA-N	439.880	3.211	10	40	IGCB	
COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1	13503988	SFQBZLVJRFZCJE-JOCHJYFZSA-N	436.560	3.357	10	40	IGCB	
CCN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1	13603140	WHQUQPFCGZWLPX-ATVHPVEESA-N	447.276	3.209	10	40	IGCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1	16692411	BTEDODWSZRAROT-SSZFMOIBSA-N	441.534	3.488	10	40	IGCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C(=O)N3CCCCC3)cc2)C1=O	408535990	VBZVCGBLZSFJNX-CAPFRKAQSA-N	446.507	3.454	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OC	408911550	NVARPZGWPURYRG-MLPAPPSSSA-N	449.232	3.272	10	40	IGCB	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	22523512	DUDMFCOUDVIZIL-LJQANCHMSA-N	447.626	3.456	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)cc3)N3CCOCC3)ccc21	22733416	FKJINQHCSCOFRM-NRFANRHFSA-N	444.373	3.245	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2cccc(Br)c2)c2ccc(N(C)C)cc2)CC1	23080550	WWGYGMRJPDVXDL-NRFANRHFSA-N	445.405	3.234	10	40	IGCB	
Cc1ccc(NC(=S)N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(C)c1	408533766	PBQMYWMINXUHOU-JLHYYAGUSA-N	428.901	3.410	10	40	IGCB	
COC(=O)c1cccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C	408551158	LPPMASHQSUKTFC-LCYFTJDESA-N	447.875	3.318	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	8820348	PARVTVQXBLQFHQ-XNTDXEJSSA-N	432.479	3.304	10	40	IGCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1	41077719	YTWRGEDDMRVKHY-KWJVRTRQSA-N	434.886	3.221	10	40	IGCB	
COc1cccc(CNC(=O)COC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c1	9988056	IMOYVHMYGLRMCX-UHFFFAOYSA-N	431.444	3.234	10	40	IGCB	
COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)CC2)cc1	101932666	MBEJJFQLUQXOJU-LJQANCHMSA-N	449.429	3.048	10	40	IGCB	
COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1ccc(N(C)C)cc1	1848351926	UUDLSZLEHIJBDB-UBFVSLLYSA-N	437.584	3.224	10	40	IGCB	
COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/c3ccc(OC)c(OC)c3OC)C2=O)c1	4465134	JQSWQXCTTIMBDH-UVTDQMKNSA-N	442.424	3.236	10	40	IGCB	
C[C@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	9347902	ANYXSGLZRQIGMO-QCIGAMRASA-N	444.553	3.135	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@H]5C[C@H]34)CC2)cc1	61991214	BTDFXRGYBMACRJ-SDLUQVTBSA-N	440.584	3.344	10	40	IGCB	
O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	89873021	WVYYAUIWKIBPHH-LJQANCHMSA-N	425.916	3.210	10	40	IGCB	
Cc1cc(C)cc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1	408900081	SPLWXFWURADUBA-UHFFFAOYSA-N	429.270	3.394	10	40	IGCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1	2264612	CJBBYGLSVYQHCY-FOWTUZBSSA-N	435.436	3.146	10	40	IGCB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C1\CCn2c1nc1sc(C)c(C)c1c2=O	8966309	NTFWKLGBGYVWLG-LRQZKABGSA-N	444.582	3.192	10	40	IGCB	
CN(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)[C@@H]2CCS(=O)(=O)C2)cc1	11916694	DHXHELLBOAWUDC-HXUWFJFHSA-N	439.537	3.237	10	40	IGCB	
COc1ccccc1/C=C1/SC(=S)N([C@H](C)C(=O)N2CCCC[C@@H]2CCO)C1=O	13574097	KNTRSLZAJPENST-RAWZQSCHSA-N	434.583	3.048	10	40	IGCB	
C[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2F)SC1=S	43730165	LZKSYCZNSFRBLX-UTPJWGEOSA-N	444.553	3.135	10	40	IGCB	
CN(C)c1ccc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1	11990811	OPRNKVGFEOBUFJ-JJRVBVJISA-N	429.489	3.083	10	40	IGCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)C1	223390123	XKJREUHBUVUNMZ-XMSQKQJNSA-N	429.586	3.172	10	40	IGCB	
Cc1nnc(SCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)n(N)c1=O	9285549	XMYYNQSNCIMVMW-UHFFFAOYSA-N	437.447	3.062	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CCn3nc(-c4ccc(C)c(C)c4)ccc3=O)CC2)cc1	41253198	NESWFBQDERJFTO-UHFFFAOYSA-N	446.551	3.275	10	40	IGCB	
C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O	220484124	VZHFIMWBGIMWOZ-KRWDZBQOSA-N	433.549	3.287	10	40	IGCB	
CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O	2252890	KHOVAHCDTVWWRM-FBKCMUNRSA-N	444.582	3.143	10	40	IGCB	
CCN(CC)c1ccc(CN2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)c(OC)c1	12117813	XPKMSUOVMOLGHA-GOSISDBHSA-N	439.604	3.419	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	33536512	DMQVJQPVJQMVTQ-NUEDXCKTSA-N	446.481	3.458	10	40	IGCB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCCC2)cc1	222779477	PHRFMVVCXDRISN-JOCHJYFZSA-N	445.585	3.156	10	40	IGCB	
COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1	408961384	SIXDQCZZVZRZOT-STZFKDTASA-N	434.496	3.135	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc(C)cs3)C2=O)cc1OC	8819407	OQNWUNVNMHAAEZ-AUWJEWJLSA-N	435.552	3.309	10	40	IGCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)cc1OC	41078397	SVLQIJVHUBUUKG-UVYYMYQDSA-N	433.420	3.373	10	40	IGCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1cccc(C(=O)O)c1	408694853	NGLXQHQENAMPEE-CPNJWEJPSA-N	434.448	3.368	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O	408983310	LHOGBIJXETVODL-NVNXTCNLSA-N	428.828	3.249	10	40	IGCB	
COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)c1	1792615	LGHVMFUCAOULIU-MHWRWJLKSA-N	428.491	3.233	10	40	IGCB	
COc1ccc(OCCn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)cc1	6287818	DUBTXOQIYUTPJD-UHFFFAOYSA-N	449.532	3.328	10	40	IGCB	
Cc1c(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N(C)C2=S)c(=O)n(-c2ccccc2)n1C	8687995	KSSFYUBKFPEFLX-HMMYKYKNSA-N	447.564	3.155	10	40	IGCB	
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	27369853	AUBVQBJZRPOFSU-VCHYOVAHSA-N	427.438	3.289	10	40	IGCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1	41083908	AAXDEMQXUAKXGD-HJDDMPKESA-N	432.458	3.097	10	40	IGCB	
CCN(CC)c1ccc(/C=c2/sc(=C(C#N)C#N)n(-c3ccc(C)cc3C)c2=O)cc1	95950359	FMXUXFNUJMNOGK-OEAKJJBVSA-N	428.561	3.389	10	40	IGCB	
CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)sc(C)c1C	408912308	FDBBBGUHUSCDLW-OQLLNIDSSA-N	445.566	3.206	10	40	IGCB	
CCOC(=O)c1sc2nc(/C=C/c3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C	9630913	YCJUPQJSZJNJDV-RMKNXTFCSA-N	425.510	3.477	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)cc1	61997024	UNYJANFBGVUIQP-MKZKIRMCSA-N	440.584	3.102	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@]45[C@H]6O[C@]6(C)CC[C@@H]4[C@H](C)CC[C@H]35)CC2)cc1	103545744	BALNINAJAHCEHC-IUKSFTIUSA-N	440.584	3.343	10	40	IGCB	
COc1cccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1O	102732451	CNCJVMCKYBVHRF-QNWVGRARSA-N	430.460	3.448	10	40	IGCB	
Cc1cc(C(=O)[C@@H](C)OC(=O)C2=NNC(=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1	8671416	NJEHEIBYRBXDAQ-CYBMUJFWSA-N	433.411	3.076	10	40	IGCB	
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O[C@@H](C)C(=O)O	106374661	JXTQZYLYDSCAAF-CCNLRRDASA-N	436.464	3.127	10	40	IGCB	
CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)ccc21	408539513	WUDWSBHRFCZJNK-GHRIWEEISA-N	447.495	3.038	10	40	IGCB	
O=C1/C(=C/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)SC(=S)N1CCc1ccccc1	100788736	PQAARVOAKNUHBB-YRCSKZRBSA-N	437.590	3.212	10	40	IGCB	biogenic
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)C(=O)NC1=S	409172782	LIJGPRHRYOPSCZ-GHRIWEEISA-N	432.505	3.329	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1ccc(O)cc1C(=O)O	9216187	QIKDXBANSWAINX-SXGWCWSVSA-N	446.481	3.460	10	40	IGCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	408850691	CMEUCBKRRIUIFM-BPKVKKHESA-N	438.436	3.268	10	40	IGCB	
COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1	409200979	KYOUAJJYQNLOGC-UNOMPAQXSA-N	425.510	3.114	10	40	IGCB	
CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S	8828390	VXBJRYRPUWOXJZ-BAHZGANASA-N	425.528	3.413	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1O	1237754	XOIWPLXCYXPKLH-YVLHZVERSA-N	428.491	3.351	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)C(O)=NC1=S	1828990	ABHSGJDPOYIWAH-ACCUITESSA-N	428.466	3.393	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc(OC)c1O	28296860	ODUOIZHRDUYPOE-VIZOYTHASA-N	433.463	3.219	10	40	IGCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(Br)c3)C2=O)cc1	408876823	QZCCAWYPBZZYMQ-LFIBNONCSA-N	443.253	3.292	10	40	IGCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c1C	409066638	LXRDMBOYVXAFRT-BGARDKSCSA-N	442.493	3.479	10	40	IGCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1cccc(F)c1	409239844	QUOSHVJWTLREQA-XDHOZWIPSA-N	441.484	3.337	10	40	IGCB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)F)[C@H]2c2ccc(N(C)C)cc2)cc1	10078540	OFDJSSZJVJABNA-GOSISDBHSA-N	441.475	3.155	10	40	IGCB	
CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	33383504	CGGKOPCIVKEFSJ-JYRVWZFOSA-N	432.230	3.217	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	43888300	FUEQWUQEKJEBIC-WWDJGNSZSA-N	449.496	3.461	10	40	IGCB	
COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O	2184056	QIRURQBBAAWFTL-VCHYOVAHSA-N	442.493	3.398	10	40	IGCB	
COc1cc2nc3cc([N+](=O)[O-])ccc3c(NCCCNCC(C)(C)O)c2cc1OC	4428889	GEAQDMLOZUIVGN-UHFFFAOYSA-N	428.489	3.476	10	40	IGCB	
O=C(COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1F	33749205	JIAQCCQLUDBHRK-JXAWBTAJSA-N	431.423	3.305	10	40	IGCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1	41077721	BZKAUGGKAQRZAM-GHZHVEGCSA-N	434.886	3.221	10	40	IGCB	
O=S1(=O)CC[C@H](N2CCN(Cc3cc(Cl)cc(C4CCCCC4)c3O)CC2)C1	48353550	PNRAJNWDHCILQH-IBGZPJMESA-N	427.010	3.398	10	40	IGCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)ccc1Br	408758504	LERUWGOOVLAUMG-NTEUORMPSA-N	430.214	3.332	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cccc(Cl)c1	408875292	IUVWRLQZONAMSM-UHFFFAOYSA-N	437.304	3.495	10	40	IGCB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C	409244958	LFFZSAAJSLTQAL-YBFXNURJSA-N	445.435	3.372	10	40	IGCB	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O	2366874	LQVBLJUBAYORGD-VBKFSLOCSA-N	446.598	3.390	10	40	IGCB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=N)N21	8829936	ZHRSARYFPYGZLY-MKGVMWAWSA-N	428.495	3.346	10	40	IGCB	
Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)ccc21	9233015	FGFXGFNRFIGDJD-CAOOACKPSA-N	425.491	3.012	10	40	IGCB	
Cc1cccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1C	10113155	FIMXIVWXAVJECJ-UHFFFAOYSA-N	429.586	3.376	10	40	IGCB	
CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O	408831089	PIAJAZUVFSAYRH-OQLLNIDSSA-N	428.828	3.412	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3coc4ccccc4c3=O)SC2=S)cc1	409375554	MKVMDKDKZWVCBD-YVLHZVERSA-N	438.486	3.348	10	40	IGCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)c1	9601281	OBZFKRCINGLCKK-XSFVSMFZSA-N	445.431	3.241	10	40	IGCB	
O=c1oc2c(CNCCCN3CCOCC3)c(O)ccc2cc1-c1cc(F)cc(F)c1	13730929	VQSCLQAYWKGPRJ-UHFFFAOYSA-N	430.451	3.256	10	40	IGCB	
COC(=O)c1ccc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1	35043252	IGLFFSXUPXUNTH-XMHGGMMESA-N	425.485	3.405	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccc(C(C)C)cc3)CC2)cc1	54176453	DPDZYZNYXBBMJY-HSZRJFAPSA-N	428.573	3.397	10	40	IGCB	
COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc2c(c1)OCO2	107888427	QSLGLRUCOORRHC-UYRXBGFRSA-N	444.443	3.464	10	40	IGCB	
CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc1OC	409391852	LVLROAPSEPAAAP-QVIVLVACSA-N	441.347	3.282	10	40	IGCB	
COc1cc(CN/C=C2\C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)cc(OC)c1	1809119	CXYDPOZLNLGOSU-XSFVSMFZSA-N	447.516	3.278	10	40	IGCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)c(OC)c3)SC2=S)cc1	9188494	IILBNUADXBUQAV-WQRHYEAKSA-N	444.534	3.364	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1OC	408742509	RJKKXTPINRKLHZ-RIYZIHGNSA-N	447.310	3.298	10	40	IGCB	
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(O)ccc1Br	32099600	YNWNIBKBUWGIPZ-JYRVWZFOSA-N	438.075	3.379	10	40	IGCB	
CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(OC)c1	409095242	AHGKUQDQPZCHRX-DEDYPNTBSA-N	436.512	3.381	10	40	IGCB	
COC(=O)/C=C1/SC(N2N=C(c3cccc4ccccc34)C[C@@]2(O)C(F)(F)F)=NC1=O	1415554	CBXWMEJWFMNIMI-RNYZQXAPSA-N	449.410	3.187	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cccc(Br)c1	12556078	UVDIUZMPETXDMN-UHFFFAOYSA-N	425.348	3.106	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccc(N(C)C)cc2)CC1	22664983	UDABMIFVAPJKOU-OAQYLSRUSA-N	445.951	3.033	10	40	IGCB	
Cc1ccc(CN(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)cc1	260841171	JUNJCSUCYGEEJP-FQEVSTJZSA-N	443.613	3.309	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1Br	12536717	DKGCLYFENJRHKE-UHFFFAOYSA-N	425.348	3.106	10	40	IGCB	
Cc1cc(N2CCOCC2)ccc1/C=C1/C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	15013140	SKDMUFFFHYSVIO-UYRXBGFRSA-N	441.940	3.316	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OC(C)C)c1	408807121	KHUHVZVUWDCQQN-RQZCQDPDSA-N	425.397	3.057	10	40	IGCB	
CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)N(C)C1=O	1022749	JIQQPNIUPHISLG-UHFFFAOYSA-N	429.270	3.462	10	40	IGCB	
COc1ccc(CNC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1OC	35597218	KNTPXOFSRGFLHY-QFIPXVFZSA-N	438.572	3.332	10	40	IGCB	
CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(N(C)C)cc4)C[C@H]32)c(OCC)n1	248117125	LWLOKSPPPIVBRW-UWUFEASWSA-N	440.588	3.460	10	40	IGCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1	8781242	HCDBHMVYASZILZ-SFQUDFHCSA-N	436.424	3.247	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	9430226	RTOXKVPUCVHJIL-QOSQHLEFSA-N	444.490	3.470	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)Cc3c(C)nc4ccccc4c3C)CC2)cc1	9492682	HLBZUWJEVYIJGG-UHFFFAOYSA-N	447.535	3.295	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OC)cc1	17101283	IAYGPIJPZGMQII-STZFKDTASA-N	437.452	3.134	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC	408869523	SLVDANKWVSDBBT-JYRVWZFOSA-N	447.310	3.298	10	40	IGCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2F)C1=O	33575480	BBFKUGRONQBHJJ-UNOMPAQXSA-N	440.450	3.405	10	40	IGCB	
O=C1N=C(S)N(C2CCCCC2)C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1	103104616	LJUBNCBVBAFGQK-HKWRFOASSA-N	426.586	3.112	10	40	IGCB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	145644957	AADFPGDAPCFCEB-XQBPLPMBSA-N	441.509	3.442	10	40	IGCB	
CCOc1cccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)c1O	408532362	UMABZEZFGIHBDW-AQTBWJFISA-N	437.448	3.455	10	40	IGCB	
CC(C)CCN1C(=O)/C(=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC1=S	20650052	CITDIKQDXALSGG-CPNJWEJPSA-N	433.599	3.281	10	40	IGCB	
CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC	408692792	VNMGZXVYXOSUEE-MDWZMJQESA-N	437.290	3.261	10	40	IGCB	
CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1	16691689	AIGLHGOYBOPICT-ZSOIEALJSA-N	427.369	3.214	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)N2CCCC[C@H]2CCO)C1=O	54360684	KNTRSLZAJPENST-XBNPZXQFSA-N	434.583	3.048	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCCC3)ccc21	9138310	GGVISARLAQGZFV-QHCPKHFHSA-N	438.547	3.490	10	40	IGCB	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	33582080	GVYUNLRDVXDMNJ-SJWFJVLYSA-N	446.525	3.186	10	40	IGCB	
CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CCOC)C2=O)c2ccccc21	409140541	FJOXUWBRZXSZRG-PDGQHHTCSA-N	431.583	3.357	10	40	IGCB	
Cc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1C	13649568	VAYSYCSULBTTCN-UHFFFAOYSA-N	429.586	3.376	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H](CO)Cc1ccccc1	33542105	NIWGXIGJRASDGG-UHVIJJLKSA-N	432.592	3.059	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	13572526	XBTIYQQWEWYNJI-NUEDXCKTSA-N	446.481	3.458	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)cc3)N3CCOCC3)ccc21	22733413	FKJINQHCSCOFRM-OAQYLSRUSA-N	444.373	3.245	10	40	IGCB	
COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1	34896183	LYVJYNQPHXMRQE-HKWRFOASSA-N	443.459	3.174	10	40	IGCB	
CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@@](C)(c4ccc(F)cc4F)O3)cc2)CC1	40936229	VVAHJSXAXRVBPR-NZQKXSOJSA-N	432.467	3.300	10	40	IGCB	
CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1	408739760	ACAQLKRFWFVDGU-MHWRWJLKSA-N	430.327	3.346	10	40	IGCB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)F)[C@@H]2c2ccc(N(C)C)cc2)cc1	10078537	OFDJSSZJVJABNA-SFHVURJKSA-N	441.475	3.155	10	40	IGCB	
COc1ccc2c(/C=C3\SC(=S)N(NC(=O)c4cccc(O)c4)C3=O)c[nH]c2c1	13728410	CXZKSONKEMKREP-IUXPMGMMSA-N	425.491	3.428	10	40	IGCB	
C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O	23673853	GTUAAADDXRIXIT-HOYKHHGWSA-N	428.577	3.049	10	40	IGCB	
COC(=O)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCC1	44085978	OLGAQRATXZHONV-UHFFFAOYSA-N	438.347	3.200	10	40	IGCB	
CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)NC1=S	408911486	NMVUSPMGOQQBKY-RIYZIHGNSA-N	449.301	3.424	10	40	IGCB	
Cc1cc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)ccc1I	1065698	UJTREPKIQXYCET-OVCLIPMQSA-N	437.306	3.352	10	40	IGCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C	108925173	LDOSHFBZSQUODO-XDHOZWIPSA-N	447.447	3.136	10	40	IGCB	
COc1ccc2c(/C=C3\SC(=S)N([C@@H](C(=O)O)C(C)C)C3=O)c(C(=O)O)[nH]c2c1	256055639	OEZOBSKLHAUGSJ-LPYTZGJOSA-N	434.495	3.185	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C\c2cc(Br)c(Br)o2)SC1=S	408954003	RJORCINWDCZPOV-QHHAFSJGSA-N	427.095	3.090	10	40	IGCB	
Cc1cc(/C=C/C(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2	12553859	KHVCHCRALALYHD-BWAMLYQTSA-N	445.475	3.116	10	40	IGCB	
CCCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1	17287092	CXUWTTGUNQDDDG-QHCPKHFHSA-N	448.608	3.084	10	40	IGCB	
Cc1c(CC(=O)NC[C@H](CC(=O)O)c2ccc(Cl)cc2)c(=O)oc2c(O)c(O)ccc12	37505819	MACWMRPJBXUQBG-ZDUSSCGKSA-N	445.855	3.083	10	40	IGCB	biogenic
CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)C(=O)NC2=S)c1	16693227	IGJRLZQHZGJYBV-AUWJEWJLSA-N	432.885	3.284	10	40	IGCB	
COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2c1	23382813	FINXHYFWJPXEJZ-UHFFFAOYSA-N	426.538	3.369	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	225494215	IQYQZFSOKHDIIW-UHFFFAOYSA-N	447.576	3.389	10	40	IGCB	
CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	1792441	VHGWZOGCWPNMEG-KAMYIIQDSA-N	443.388	3.145	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)cc1	2091752	UNYJANFBGVUIQP-IOPHYCJLSA-N	440.584	3.102	10	40	IGCB	biogenic
COC(=O)c1cc(OC)c(OC)cc1N/C=C1/SC(=S)N(Cc2ccco2)C1=O	9423672	RCXFQDHJCXKTKL-CXUHLZMHSA-N	434.495	3.397	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccccc2F)SC1=S	13576202	AJWXVVNQISUCNI-SYEOYNTFSA-N	446.481	3.458	10	40	IGCB	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccc(C(=O)O)cc1	2366067	GNSZLFIBKBBJTB-PDGQHHTCSA-N	435.436	3.146	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@H](CO)Cc1ccccc1	33543335	SWEKESDMGRCHHM-NFBGKYEXSA-N	444.553	3.137	10	40	IGCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F	220092529	GKQFUOIEKOLBFI-UHFFFAOYSA-N	437.512	3.038	10	40	IGCB	
CCCOc1ccc(N2C(=O)[C@@H]3[C@H](C(C)C)NC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	13143038	AGMQOTOFXQLJCG-ACRUOGEOSA-N	446.503	3.027	10	40	IGCB	
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\NCCC1CCN(Cc2ccccc2)CC1	20622371	XAFHQNPQPZFGPI-QJOMJCCJSA-N	446.551	3.041	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	33589606	ULMVMMPYBXOFLN-LYQMGENXSA-N	446.481	3.458	10	40	IGCB	
O=S1(=O)N[C@@H](C2CCN(Cc3ccc(N4CCCC4)c(F)c3)CC2)Nc2ccccc21	72338930	HKAHLBIQNPLVPF-QHCPKHFHSA-N	444.576	3.368	10	40	IGCB	
CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O	224421337	PMIXDXLILSOVII-JOCHJYFZSA-N	447.601	3.402	10	40	IGCB	
Cc1cc(/C=C/C(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2	12553858	KHVCHCRALALYHD-KXOMFBTKSA-N	445.475	3.116	10	40	IGCB	
O=C1/C(=C/c2cc(Br)ccc2F)SC(=S)N1CCN1CCOCC1	12799230	DYDAZASKDCJWPG-UVTDQMKNSA-N	431.352	3.122	10	40	IGCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(N)=O)c12	409148732	QZKPIAQKFMZTLH-GESOSKEOSA-N	429.567	3.069	10	40	IGCB	
COc1ccc(N2CCC(O)(CN3CCC(O)(COc4ccc(F)cc4)CC3)CC2)cc1	585282386	ITPYTPABELUMQB-UHFFFAOYSA-N	444.547	3.072	10	40	IGCB	
COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OC	16292725	VEBBTPIYMPIWSU-DHDCSXOGSA-N	445.269	3.441	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@H](CO)Cc1ccccc1	33542863	WUHRGHLCYPYOSA-PBXDPIQXSA-N	446.981	3.261	10	40	IGCB	
C[C@H]1CCCN(c2ccc(CNC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1	260770243	RHFRFGUSGVGKJG-SFHVURJKSA-N	445.585	3.014	10	40	IGCB	
Cc1cc(C)cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1	24851868	VEQVTMFGTUAMQH-UHFFFAOYSA-N	440.521	3.398	10	40	IGCB	
CN1CCN(c2ccc(/C=C(/Sc3nc4ccccc4[nH]3)C(=O)O)cc2[N+](=O)[O-])CC1	408634387	QNRZCLHYJNGPHD-CPNJWEJPSA-N	439.497	3.441	10	40	IGCB	
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1	8870074	AXBJPPHDMFIIFB-BOFQVRIASA-N	440.546	3.008	10	40	IGCB	
COc1ccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3Cc3ccco3)CC2)cc1	13505113	PTLYZELTEBJXIE-QHCPKHFHSA-N	448.502	3.374	10	40	IGCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCOCC1	408532408	MOKULTWDFUYHPR-AQTBWJFISA-N	446.511	3.440	10	40	IGCB	
CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O	408537142	ZHHSCSZPPHVZDT-NTCAYCPXSA-N	448.483	3.002	10	40	IGCB	
CCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S	2330195	JGYQIQWUUUQGAG-QINSGFPZSA-N	446.623	3.167	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(OC)ccc1OC	112292066	XNSXVWLJUHBJQE-HMAPJEAMSA-N	439.468	3.364	10	40	IGCB	
COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	41077940	JVEKMFMGFXRGAA-LDADJPATSA-N	446.419	3.369	10	40	IGCB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1	225520672	VINFJTCMMQEHKC-OAQYLSRUSA-N	441.597	3.312	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)cc1C	409090600	RNKVZGWKKJIRHN-KGENOOAVSA-N	435.549	3.280	10	40	IGCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1	8662713	DTKJNGOXBQGRMZ-DEDYPNTBSA-N	429.480	3.329	10	40	IGCB	
Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O	13674443	SPKHWTWBHVOAGT-UHFFFAOYSA-N	435.977	3.331	10	40	IGCB	
CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(Cc1ccc3c(c1)CCCN3C)C2	19708880	SLUSNRQWGAVKJA-OAQYLSRUSA-N	448.615	3.185	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Cc1ccccc1Br	408875171	GPMDKTPCNJPLIN-UHFFFAOYSA-N	449.688	3.451	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc4ccccc4oc3=O)SC2=S)cc1	409349883	WLILGYNEFPVJOX-GZTJUZNOSA-N	438.486	3.348	10	40	IGCB	
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1O	39412141	DANCIQNSOAALLB-JYRVWZFOSA-N	438.075	3.379	10	40	IGCB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3O)[C@@H]2C(=O)N1c1ccc(F)cc1	102731405	CXIGYYIIAPOMCB-ACRUOGEOSA-N	449.394	3.491	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O	108923585	BZOJCAAGTZDWRT-YBEGLDIGSA-N	428.828	3.330	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1O	408847850	WCARHXIPJRQQGJ-AWNIVKPZSA-N	445.815	3.327	10	40	IGCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1	408854577	ISNZQGDPISEDKY-OQLLNIDSSA-N	444.896	3.197	10	40	IGCB	
O=C1c2ccccc2C(=O)c2c(NC(=O)C(F)(F)F)ccc(NC(=O)C(F)(F)F)c21	12960987	OICUXISQEROHJE-UHFFFAOYSA-N	430.260	3.464	10	40	IGCB	
Cc1ccc(O)c(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)c1	19133593	JBMZIFBKCSZVRE-NHCUHLMSSA-N	437.588	3.221	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3I)C(=O)NC2=S)cc1	408553528	ZUZUKIDIXBNHAN-GXDHUFHOSA-N	448.285	3.431	10	40	IGCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1OC	409200087	GRPBYQLXMBZOGH-GHXNOFRVSA-N	446.344	3.231	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1OC	8735645	GDMVYVTWIBABNI-VBKFSLOCSA-N	429.523	3.329	10	40	IGCB	
COc1ccc(/C=C2/C(=O)N(C)C(=S)N=C2O)cc1COc1ccc(NC(C)=O)cc1	17027650	ANVOPOCREMIXBU-WOJGMQOQSA-N	439.493	3.329	10	40	IGCB	
CNc1cc([C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)nc(CN(C)C(C)=O)n1	72370162	HQIJGUZSJBPAME-NRFANRHFSA-N	436.604	3.476	10	40	IGCB	
COc1ccccc1/N=N\c1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12	104366344	LJCNQAIPOYXZJZ-HNENSFHCSA-N	438.439	3.463	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Br)c(C)c3)C2=O)cc1	408532262	MFHJQOIOXHISHW-GDNBJRDFSA-N	430.258	3.345	10	40	IGCB	
CCN1C(=O)/C(=C/c2cc(OC)c(O)c(Br)c2Br)NC1=S	409005912	HBHJNUZOANKGJX-DAXSKMNVSA-N	436.125	3.003	10	40	IGCB	
COc1ccc(CCS(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1	38636101	XCOOCISZXBVLEG-HSZRJFAPSA-N	431.602	3.060	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1ccccc1Cl	408878395	AJEYFJDWUSSKBS-UHFFFAOYSA-N	449.688	3.451	10	40	IGCB	
CCCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OCC	2376072	ZIZCOVCMSZMIBJ-SWEABUAFSA-N	441.596	3.262	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCC[C@H]3CCO)C2=O)cc1	9253507	AHWZLPBTGLQRRB-IYWFSZBXSA-N	434.583	3.050	10	40	IGCB	
CCOC(=O)CCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	11641952	NHASEEQTHFFQFM-SFHVURJKSA-N	431.558	3.281	10	40	IGCB	
Cc1cc(O)c(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1C(C)C	25479876	DIFPRNRCBGBWMT-UHFFFAOYSA-N	433.530	3.239	10	40	IGCB	
COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2)cc1	57338539	IVTBILVMRKFALA-UHFFFAOYSA-N	436.556	3.128	10	40	IGCB	
CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(N(C)C)cc4)C[C@H]32)c(OCC)n1	248117121	LWLOKSPPPIVBRW-OPJGWUQDSA-N	440.588	3.460	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	408528202	FOMYLFKFTQTMRW-GXDHUFHOSA-N	430.804	3.226	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)NC1=S	409168273	PMAKVOYHXLBXDZ-FOWTUZBSSA-N	425.485	3.266	10	40	IGCB	
CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)C(C)C	409211422	NDYJSJOKKKPNIE-UYRXBGFRSA-N	431.558	3.205	10	40	IGCB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C	409394276	YATCSPMGSFWXOV-XDHOZWIPSA-N	445.435	3.372	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O	408934405	ALGZSMFMBBIBMG-NTUHNPAUSA-N	431.788	3.019	10	40	IGCB	
Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(C)c1	8964168	DEALPJQLLCGPRX-HSZRJFAPSA-N	434.584	3.496	10	40	IGCB	
CN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S	9345304	IVGUYQZHSKWOEX-ATVHPVEESA-N	434.546	3.088	10	40	IGCB	
CCCCc1ccc(NC(=O)CSc2nnc3nc(NCC)nc(NCC)n23)cc1	16689841	IJGSOJQYDVAEMX-UHFFFAOYSA-N	428.566	3.456	10	40	IGCB	
Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	21595842	PAZJFJBHGQZTNS-QPJJXVBHSA-N	425.470	3.396	10	40	IGCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1	41083857	CVWRUSLOVINCRE-XGMUFTHNSA-N	441.538	3.106	10	40	IGCB	
COc1cc(N2CCOCC2)ccc1CN1CCC([C@]2(C)CCCCN(C)C2=O)CC1	72371988	BTDGAYMRYLYRHR-VWLOTQADSA-N	429.605	3.392	10	40	IGCB	
Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@H]2c1ccc(O)c(O)c1	104280054	LFDVAWHFPIZHNQ-HSZRJFAPSA-N	445.523	3.246	10	40	IGCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	409014662	XXEGTXNHCBJQQQ-CIAFOILYSA-N	432.455	3.425	10	40	IGCB	
CN1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C1=O	1097474	NRZLVHQPQOPNOF-NTEUORMPSA-N	433.233	3.259	10	40	IGCB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCCC4)cc3)C2)s1	32914676	KBDJLYPTDXCZGM-LJQANCHMSA-N	447.626	3.374	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Br	409021961	AYPOTQAXSXBVNP-NTUHNPAUSA-N	435.274	3.428	10	40	IGCB	
CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)c(Br)cc1OC	409149344	CCUPJZQQBOBILK-AWEZNQCLSA-N	434.377	3.274	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)cc1	8870093	FTZUJSRHPLASOF-DTQAZKPQSA-N	436.555	3.048	10	40	IGCB	
COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1	13712709	BBNNBZMGFZMTEW-YBEGLDIGSA-N	445.478	3.158	10	40	IGCB	
O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(/N=N\c2ccccc2)cc1	101090870	ZYZXZOBBYROGMO-MJAPIOKUSA-N	439.516	3.196	10	40	IGCB	
CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)c(Br)cc1OC	409149345	CCUPJZQQBOBILK-CQSZACIVSA-N	434.377	3.274	10	40	IGCB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1OC(C)C	409190844	RGCAWZUDRFCODL-LFIBNONCSA-N	440.477	3.012	10	40	IGCB	
COc1cc(/C=C2/SC(=S)NC2=O)c(Br)c(Br)c1O	1193585	BNELWBBQZRXBBD-ZZXKWVIFSA-N	425.123	3.415	10	40	IGCB	
O=C1N=C(O)/C(=C/NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc(Br)cc1	103091956	FNGYWPDDCXRDTK-ZROIWOOFSA-N	444.241	3.275	10	40	IGCB	
COc1ccc(CN2C(=O)N=C(O)/C(=C/c3cc(OC)c(OC)cc3OC)C2=O)cc1	9108561	XQJBNZXQWYNKMP-SXGWCWSVSA-N	426.425	3.223	10	40	IGCB	
COc1ccc(/C=C2\N=C3SCN(c4ccc(OC)c(OC)c4)CN3C2=O)cc1OC	12324156	FDILFEGQOKJUIO-SXGWCWSVSA-N	441.509	3.429	10	40	IGCB	
COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)c2C)cc1	12516861	IADFXGTYJJDIDJ-QFIPXVFZSA-N	431.492	3.449	10	40	IGCB	
Cc1cc(N2CCCC2)ccc1CN1CCc2c(O)nc(N3C[C@H](C)O[C@H](C)C3)nc2C1	72347293	UDISDRQZQVBDFC-KDURUIRLSA-N	437.588	3.263	10	40	IGCB	
O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc2c(c1)OCO2	409360476	PUGDFUJWXJITCD-XRVIQIRUSA-N	430.419	3.458	10	40	IGCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(N4CCOCC4)=NC3=O)cc2)cc1	12436973	ARJZSHCHQLOVLB-RGEXLXHISA-N	444.534	3.065	10	40	IGCB	
CN1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)CC1	223707378	SOXHHTMWXGEICC-UHFFFAOYSA-N	429.586	3.021	10	40	IGCB	
O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccc([N+](=O)[O-])cc1	8870265	JKDVLTYPSLZXMQ-ZROIWOOFSA-N	425.451	3.017	10	40	IGCB	
CCCCOc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1OC	27530399	FJMVLSCPMNQWGU-KMHUVPDISA-N	439.511	3.003	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc([N+](=O)[O-])c1O	38160496	KMQAIOHCLXXFQR-RIYZIHGNSA-N	427.369	3.214	10	40	IGCB	
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	58268699	MGXFFHGCYGDMSQ-FQEVSTJZSA-N	445.541	3.145	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OC	408989096	JVILJEQOXWAEHR-CXUHLZMHSA-N	426.494	3.161	10	40	IGCB	
O=C1[C@@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2ccccc2c1	8856637	RGCAOYBSJNTRJU-VSKRKVRLSA-N	436.467	3.241	10	40	IGCB	
Cc1c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C	48235257	VHUKWCQRRJDPCW-HXUWFJFHSA-N	436.512	3.403	10	40	IGCB	
COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	408940594	OGZRQXYSYUFLAE-NTEUORMPSA-N	446.213	3.032	10	40	IGCB	
CN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2CCCO)c2cc(Br)ccc21	12861570	LVNACHGAMJOIDF-VBKFSLOCSA-N	440.297	3.058	10	40	IGCB	biogenic
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@H]5C[C@@H]43)CC2)cc1	59410079	BTDFXRGYBMACRJ-YPROMPOGSA-N	440.584	3.344	10	40	IGCB	biogenic
CCN1C(=O)/C(=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)C(C(=O)OC)=C1C	408773630	WBMJNIKEESOFCX-STZFKDTASA-N	434.492	3.074	10	40	IGCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	409106544	NXMWPDOUCIOXOY-VCHYOVAHSA-N	441.509	3.181	10	40	IGCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccccc3)C2=O)ccc1Br	408527980	DTCSQNKVGWEXMF-GXDHUFHOSA-N	443.257	3.046	10	40	IGCB	
COc1ccc(N2CCN(C(=O)c3ccccc3SCC(=O)N3CCCC3)CC2)cc1	12554679	SQQSAQXUILUEQL-UHFFFAOYSA-N	439.581	3.372	10	40	IGCB	
COc1ccc(CCN2C(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)SC2=S)cc1	8821619	BJSLZCDDSIXYJT-HNENSFHCSA-N	438.530	3.402	10	40	IGCB	
O=C1N=C(O)/C(=C\c2ccc(O)c(I)c2)C(=O)N1Cc1ccco1	38160874	SFCVBPFUEPLKLB-IZZDOVSWSA-N	438.177	3.092	10	40	IGCB	
COC(=O)c1ccc(C)c(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	109147910	UYQIMHIUFRIGDS-LCYFTJDESA-N	447.875	3.318	10	40	IGCB	
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)S1	222597574	LTZLPBNQENAGII-UAOJZALGSA-N	425.514	3.416	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(C)s3)C2=O)c1	8819201	XGWQWNBVZDDFNF-UVTDQMKNSA-N	434.568	3.475	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccccc2)SC1=S	9348600	ZNMWKGWMADHUFL-WIWNTQSISA-N	428.491	3.319	10	40	IGCB	
O=C(c1cc2ccccc2c(CN2CCN(c3ccccc3)CC2)c1O)N1CCOCC1	23908518	KQXZGZIMZNZNSQ-UHFFFAOYSA-N	431.536	3.340	10	40	IGCB	
COc1cccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1O	101064213	CNCJVMCKYBVHRF-FUDKSRODSA-N	430.460	3.448	10	40	IGCB	
C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)ccc21	409192532	YLMROCPTPCCBFT-PKVLTRFUSA-N	437.452	3.257	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/NC[C@@]3(C)C[C@H](O)CC(C)(C)C3)C2=O)c(C)c1	19832586	PDEHXAAANCOGQN-GIEOUXNCSA-N	427.545	3.245	10	40	IGCB	
CC[C@@H](C)N1C(=O)/C(=C\N(CCN2CCOCC2)Cc2ccccc2F)SC1=S	32046754	RRPIOYKEDSSNEG-ORMOWBNMSA-N	437.606	3.460	10	40	IGCB	
COc1ccc(NS(=O)(=O)c2ccc(/N=N\c3ccc(O)c(C(=O)O)c3)cc2)nn1	100011839	YFUATOCFMCWUEH-VXPUYCOJSA-N	429.414	3.105	10	40	IGCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	408531348	KIJLVXBRCFZAGB-PKNBQFBNSA-N	449.250	3.290	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	1958827	UMCBIVLATDGWJP-MHWRWJLKSA-N	445.478	3.158	10	40	IGCB	
COc1ccc(N2CCN([C@@H](c3cccs3)c3sc4ncnn4c3O)CC2)cc1	22610215	FNPDZRAZZPNLOJ-KRWDZBQOSA-N	427.555	3.478	10	40	IGCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C	41084347	DIDJOGIVGOVQSO-PCHQCWAOSA-N	448.552	3.311	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1	113830881	TUEXWKRRRIEWRK-UHFFFAOYSA-N	437.304	3.495	10	40	IGCB	
Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1cnn2c(O)cc(C)nc12)C3	257234796	GVCVUNYBIDCPJD-GHTZIAJQSA-N	448.523	3.443	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)c1	408999249	UFCKMICGVXQKTO-DEDYPNTBSA-N	429.480	3.435	10	40	IGCB	
CCN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1	659631	WHQUQPFCGZWLPX-SFQUDFHCSA-N	447.276	3.209	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1O	1192689	WREOMEISHWCEEO-NTUHNPAUSA-N	431.242	3.138	10	40	IGCB	
CN(C)c1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1	13757813	FFCMSFPYBMBMKH-WJDWOHSUSA-N	427.327	3.194	10	40	IGCB	
COC(=O)c1cccc(Cn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)c1	107831133	DYUWHIDIDMZJMC-UHFFFAOYSA-N	447.516	3.075	10	40	IGCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC	409201821	OFJPRSZRGXGFFC-SFQUDFHCSA-N	439.424	3.449	10	40	IGCB	
C[C@@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S	9348810	QNYYPTPWVFQAFE-RYTIGUFHSA-N	432.592	3.058	10	40	IGCB	
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O	33314266	WRLKPZVTSQTBHV-PDGQHHTCSA-N	425.416	3.178	10	40	IGCB	
CCc1noc(-c2ccc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)nc2)n1	49405610	WNWNKAHQZPUSNT-UHFFFAOYSA-N	439.541	3.144	10	40	IGCB	
COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)c1	1058023	OFGMYSJZVORGAY-RIYZIHGNSA-N	431.242	3.133	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccccc1F	16196101	IQJMGHKNCYFOSY-CXUHLZMHSA-N	447.465	3.339	10	40	IGCB	
CN(C)c1ccc([C@H]2N=C3NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1	20101437	DLWSAZSWJRGBFC-QHCPKHFHSA-N	438.539	3.241	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\NC(=S)Nc3ccc(C)c(C)c3)C2=O)cc1	408526778	CKNYXESUMZPEHY-LDADJPATSA-N	438.509	3.155	10	40	IGCB	
CN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)SC1=S	2958239	SDUUHELQNYAOKB-UVTDQMKNSA-N	436.492	3.194	10	40	IGCB	
COc1ccc(N2CCN([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1	6804190	QXAQVZLOUPQGPV-XZOQPEGZSA-N	429.586	3.107	10	40	IGCB	
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N=C3O)c2C)sc2c1CCCC2	8927371	JIVJZRHLJHEXCG-UHFFFAOYSA-N	427.482	3.411	10	40	IGCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1	8660970	XZQBCNRENNMKOZ-QNGOZBTKSA-N	435.476	3.397	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)c(C)c1	19997564	ANDUNTDNOOWLFB-JCMHNJIXSA-N	446.551	3.333	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1O	36207472	XTBHIXQPDRUQMP-XNTDXEJSSA-N	445.478	3.245	10	40	IGCB	
CCN(CC)C(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1	408526785	CLLPVSYYPITHJG-DTQAZKPQSA-N	440.887	3.401	10	40	IGCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(F)cc1	59535811	ILIWBINUBNMTMG-UHFFFAOYSA-N	434.876	3.371	10	40	IGCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NC[C@H]2CCCO2)cc1	112293516	SFCVAWJIURQGMV-YLCCHKQJSA-N	436.468	3.397	10	40	IGCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NC1=S	408740106	DOOQZNJQUXBBEN-NTEUORMPSA-N	446.282	3.497	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C(=O)NC2=S)cc1	409188194	BPCPLIFISGFVQV-HTMJNSLASA-N	449.488	3.127	10	40	IGCB	
C/C(NCc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1	13990360	LJULUAQUTMBJIC-XLNRJJMWSA-N	446.532	3.149	10	40	IGCB	
O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1Cc1ccco1	51330827	BUKZPEUXIOWGKU-IUXPMGMMSA-N	426.475	3.294	10	40	IGCB	
COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O	409166483	GGKSBTCFPIPXRN-GHRIWEEISA-N	437.521	3.135	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(N)=O	409215521	AJOTVZMCVNVAPY-RQZCQDPDSA-N	432.498	3.494	10	40	IGCB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)c(Br)cc1OC	409216998	MZLWFQWWQWYOGK-MLPAPPSSSA-N	446.344	3.231	10	40	IGCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)N1CCOCC1	409243115	VPWGDMJEDLRYGG-RGEXLXHISA-N	440.546	3.330	10	40	IGCB	
CCOC(=O)COc1cc(OCC(=O)OCC)c2c(-c3ccccc3)cc(=O)oc2c1	655456	RPMZOXPVOORCJB-UHFFFAOYSA-N	426.421	3.344	10	40	IGCB	biogenic
CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2OC)C1=O	409106580	OCVIEXWPJKLSLK-XNTDXEJSSA-N	430.844	3.422	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1C[C@@H]1CCCO1	409193023	AGUWVFOZAQIISY-KTZOAPACSA-N	427.501	3.254	10	40	IGCB	
CCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S	2246269	KOWGZFUWMIWKNL-WJDWOHSUSA-N	446.598	3.451	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N[C@H](Cc1ccccc1)C(=O)O	8870066	QRFGAWCTRRHICF-SOGDLCAJSA-N	440.546	3.090	10	40	IGCB	
CCOC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC	33792822	BVCMEPPWJLSQIA-MFVBVHDHSA-N	444.871	3.140	10	40	IGCB	
O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	58149275	YINJKXICCZQGFA-UHFFFAOYSA-N	425.488	3.223	10	40	IGCB	
COc1cc(N2CCOCC2)ccc1CN1CCC([C@@]2(C)CCCCN(C)C2=O)CC1	72371987	BTDGAYMRYLYRHR-RUZDIDTESA-N	429.605	3.392	10	40	IGCB	
Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O	13674644	CBKLCBBGEQGWJR-UHFFFAOYSA-N	435.977	3.331	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)cc(OC)c1OC	27229660	HFENCWQXBHYUMM-MHWRWJLKSA-N	448.497	3.398	10	40	IGCB	
C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1	223187766	WRWOFBMCJYQZTJ-PGRDOPGGSA-N	429.586	3.487	10	40	IGCB	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)ccc1OCC(=O)N(C)C	223249554	MMWBGCTXMHORDK-UHFFFAOYSA-N	431.539	3.386	10	40	IGCB	
C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)ccc21	409192534	YLMROCPTPCCBFT-YGRGUWMTSA-N	437.452	3.257	10	40	IGCB	
CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	20150602	ZPFBYZXLZPIINH-IMIIHFCZSA-N	449.551	3.305	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1	33542247	AHWZLPBTGLQRRB-WDMNMGCXSA-N	434.583	3.050	10	40	IGCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)c(C)c3)C2=O)o1	33655330	XKZBAISFIUZJOK-XDHOZWIPSA-N	442.493	3.448	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)CCSc3ccccc3)N3CCOCC3)ccc21	38671945	MIVHOTOCZRSPKB-HSZRJFAPSA-N	425.598	3.351	10	40	IGCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc2c(c1)C(=O)NC2=O	95471606	RLOOQTNLXUKURQ-SXGWCWSVSA-N	439.269	3.360	10	40	IGCB	
COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O	408739627	DJMSLLNXYGQLTB-ZSOIEALJSA-N	431.242	3.138	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OC	408800508	NFMWQXPSVDNWJU-OQLLNIDSSA-N	430.844	3.422	10	40	IGCB	
CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1	409205665	DSJYVWHJHLJRQP-YBFXNURJSA-N	439.493	3.199	10	40	IGCB	
O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	409392435	MOUMXAVRDUESPB-XNTDXEJSSA-N	437.795	3.360	10	40	IGCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)OC)c(OC)c3)C2=O)cc1	34201513	VIDWVIAGXBYDSZ-BOPFTXTBSA-N	438.436	3.316	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@H]34)CC2)cc1	61991212	BTDFXRGYBMACRJ-WJXVZKHPSA-N	440.584	3.344	10	40	IGCB	
COc1ccc(Cn2nnnc2[C@@H](c2ccc(N(C)C)cc2)N2CCC(C(=N)O)CC2)cc1	82061360	HWMIXGQJZONQNT-JOCHJYFZSA-N	449.559	3.133	10	40	IGCB	
CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)ccc21	408534081	UTDJUIQGANIKIK-QGOAFFKASA-N	447.495	3.038	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1OCC(=O)O	409331467	OBTSFVUKRAQFCB-DHDCSXOGSA-N	446.462	3.473	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)NC2=S)c(OC)c1	59595656	DKEVTLYYAZBBLP-FOWTUZBSSA-N	441.509	3.118	10	40	IGCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O	408962077	GHKZISNGMCTCLY-KPKJPENVSA-N	446.213	3.038	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)N2CCCC[C@@H]2CCO)C1=O	33583989	KNTRSLZAJPENST-JMFFAQHDSA-N	434.583	3.048	10	40	IGCB	
O=C1N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1	102487939	LAQHVCGTQPCSKM-XLNRJJMWSA-N	432.524	3.286	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)N[C@@H](CO)Cc1ccccc1	9216125	IRWIRYGOAYNQRL-ZJYZBMPFSA-N	444.553	3.137	10	40	IGCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1	9850797	SFNZLKCSYWRNLZ-XSFVSMFZSA-N	429.432	3.404	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C\c2cccs2)SC1=S	33542134	CGHQUUJPXUWEJW-MBBDXHFBSA-N	434.520	3.380	10	40	IGCB	
CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(N(C)C)cc4)C[C@@H]32)c(OCC)n1	72343022	LWLOKSPPPIVBRW-KIVTUJJHSA-N	440.588	3.460	10	40	IGCB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC	408692610	QOXWSIBCEDGLBL-MDWZMJQESA-N	437.290	3.261	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C	408797179	BONGRKMLSKCJSF-CXUHLZMHSA-N	425.397	3.057	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc(OC)c1OC	1889166	TWGMELWOBSUZKQ-RLIURORJSA-N	443.568	3.120	10	40	IGCB	
COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1OC	1902374	KAHMFBSQELUCKI-XNTDXEJSSA-N	445.478	3.158	10	40	IGCB	
Cc1oc2c(CN3CCC[C@H]3C(=O)O)c(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2	9361126	HXBCRKHZFRXGCI-KRWDZBQOSA-N	437.448	3.294	10	40	IGCB	biogenic
C[C@H]1CCCN(c2ccc(CNC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)C1	260793238	LYHNLZBIVYEGJX-SFHVURJKSA-N	447.576	3.140	10	40	IGCB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	408536679	XGMOPFLUAVNZLZ-RVDMUPIBSA-N	447.363	3.235	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)c(OC)c1	408961693	UQZBTKROXTZFHW-CPNJWEJPSA-N	435.480	3.279	10	40	IGCB	
CN(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)[C@H]2CCS(=O)(=O)C2)cc1	11916696	DHXHELLBOAWUDC-FQEVSTJZSA-N	439.537	3.237	10	40	IGCB	
COc1ccc(N2CCN(c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)CC2)cc1	25461972	AGERKSJQVKOYHB-UHFFFAOYSA-N	432.590	3.224	10	40	IGCB	
COC(=O)C1=CN(c2ccc(N(C)C)cc2)c2cc(Br)ccc2S1(=O)=O	35511085	CTJLCKBDMVZNQD-UHFFFAOYSA-N	437.315	3.455	10	40	IGCB	
CCOc1cccc2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)nc12	54361116	RBEZIAUSVSKIAW-NWFCWYBLSA-N	446.506	3.153	10	40	IGCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(I)cc1	408842789	BIRCKEZNYRSKBP-NTEUORMPSA-N	436.180	3.097	10	40	IGCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OC)C2=O)cc1	409044679	WQUHJHRPBIPYAG-RIYZIHGNSA-N	449.246	3.455	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)N3CCCCC3)ccc21	9138024	FPBHMEZGQHEGAH-XMMPIXPASA-N	434.584	3.029	10	40	IGCB	
COCCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N(c2ccccc2)C1=O	9805941	MABFNOMQAYRLOW-PGMHBOJBSA-N	431.448	3.208	10	40	IGCB	
C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCCCC4)cc2)CC3)C[C@H](C)O1	72347290	HUHBLGCBPSQADE-OALUTQOASA-N	437.588	3.344	10	40	IGCB	
CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O	408835323	XFPCHFDDDNOLOL-GXDHUFHOSA-N	428.828	3.412	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Br)c1	408887484	OUFSBHISAPUPGB-UHFFFAOYSA-N	435.274	3.082	10	40	IGCB	
CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	4092586	ZPFBYZXLZPIINH-OYSWMMLKSA-N	449.551	3.305	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCc1ccc(O)c(O)c1	9348603	KEMYVHKEWDWHLO-LDADJPATSA-N	446.525	3.187	10	40	IGCB	
CCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S	26503287	DOFJGKPNXGYWPQ-XNHXUMAHSA-N	428.583	3.398	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)N[C@H](CO)Cc1ccccc1	33539151	IRWIRYGOAYNQRL-UZNZLNSGSA-N	444.553	3.137	10	40	IGCB	
C[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1	260746392	WRWOFBMCJYQZTJ-AVRDEDQJSA-N	429.586	3.487	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	1825644	LBLMAQXNQCNDRL-ZROIWOOFSA-N	434.520	3.382	10	40	IGCB	
CCN(CC)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)cc1	27023147	JTDVJBFSCQPPIC-JWGURIENSA-N	431.561	3.409	10	40	IGCB	
CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1	28249177	VZRAZXSDUILMKF-UHFFFAOYSA-N	445.522	3.018	10	40	IGCB	
COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cn1	33793071	VBKMWZVYKYKKOO-ATVHPVEESA-N	432.392	3.252	10	40	IGCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)n1-c1ccccc1	223163850	OQMWSQPZCPTSEE-ZEQRLZLVSA-N	447.608	3.485	10	40	IGCB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1	6997572	CUBJOGRDMDJPMI-PTNGSMBKSA-N	446.326	3.474	10	40	IGCB	
CCOC(=O)CCc1c(C)c2ccc(O)c(CNCc3ccc4c(c3)OCO4)c2oc1=O	8764498	BRMJFPSKBOGHMO-UHFFFAOYSA-N	439.464	3.321	10	40	IGCB	biogenic
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1	103919090	RHURLANDHUBRFY-UYRXBGFRSA-N	443.485	3.131	10	40	IGCB	
COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O	409139359	NDOULOUBXQNMTP-OQLLNIDSSA-N	426.494	3.161	10	40	IGCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409215677	DHYSECMKJBRQIL-LFIBNONCSA-N	425.397	3.059	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCCCC3)ccc21	13007994	DJLKPSPTBPHKBO-QFIPXVFZSA-N	442.510	3.239	10	40	IGCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)n1-c1ccccc1	223163775	OQMWSQPZCPTSEE-BJKOFHAPSA-N	447.608	3.485	10	40	IGCB	
O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1c1cccc(O)c1	51330822	GYXGQDLKUMMUQH-LSCVHKIXSA-N	438.486	3.411	10	40	IGCB	
CC(C)n1[nH]c(=O)c2c(-c3ccc(OCC(N)=O)cc3)c3oc4c(O)c(O)ccc4c3nc21	85875659	XBQCTIZHGZLVKW-UHFFFAOYSA-N	448.435	3.147	10	40	IGCB	biogenic
CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(OC)c1	409201087	LTWVSIHEHGVFFL-XDHOZWIPSA-N	440.475	3.212	10	40	IGCB	
CC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21	9972463	VGNXSJKGRLRVPQ-UKDJSQQHSA-N	430.460	3.229	10	40	IGCB	
CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1	225776899	IGVFFIONSPAIEV-UHFFFAOYSA-N	426.586	3.410	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OC	408692708	SOEHAMFEWCHKSG-MDWZMJQESA-N	437.290	3.261	10	40	IGCB	
COc1ccc(N2CCN([C@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1	6804191	QXAQVZLOUPQGPV-GOTSBHOMSA-N	429.586	3.107	10	40	IGCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCCN2CCOCC2)cc1	20059850	ZQDMOVIMLMDEKN-NMWGTECJSA-N	434.540	3.032	10	40	IGCB	
CC[C@@H](C)Oc1cc(N(C)C)ccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O	33685225	YBQKSCVVNGZEIV-JVVDOCDTSA-N	441.484	3.402	10	40	IGCB	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	225507294	SPIULRWBJXLUDP-OAQYLSRUSA-N	441.597	3.394	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)C(=O)NC2=S)c(OC)c1	409099778	LOFWEZXQKKFDLM-GZTJUZNOSA-N	426.494	3.322	10	40	IGCB	
CSc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1	9424271	AMLZBMWSLOXFJQ-XGXACIPPSA-N	427.555	3.430	10	40	IGCB	
Cc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408655994	FADFJUHZTNFAFU-VWPQPMDRSA-N	446.503	3.039	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)N3CCCCC3)ccc21	9138027	FPBHMEZGQHEGAH-DEOSSOPVSA-N	434.584	3.029	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C\c2cccs2)SC1=S	9429174	DWZNQEYWKRXMLP-PFMRQGHBSA-N	434.520	3.380	10	40	IGCB	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2)N2CCc3ccccc32)cc1	10188409	JHBTXZRLUOSJBE-VWLOTQADSA-N	442.563	3.289	10	40	IGCB	
CCOC(=O)COc1ccccc1/C=C1/C(=O)N=C(O)N(c2ccc(Cl)cc2)C1=O	13809891	RRHFKBWSKAQWDV-WJDWOHSUSA-N	428.828	3.153	10	40	IGCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(I)c1	16488253	QZBWVXNCANQJJI-GXDHUFHOSA-N	434.258	3.123	10	40	IGCB	
CCOc1cccc2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)nc12	54361115	RBEZIAUSVSKIAW-OJNRTJSBSA-N	446.506	3.153	10	40	IGCB	
CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccc(OC)cc3)c3ccccc23)C1=O	2313461	KRWDCTYCTCHQNO-XSFVSMFZSA-N	433.464	3.211	10	40	IGCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3cc(O)cc(c23)C1=O	16160672	VAIDEHCOMWRIAP-ODLFYWEKSA-N	430.395	3.092	10	40	IGCB	
Cc1ccc(O)c(CN2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)c1	19133475	IAOHBOGXEWCPBF-QFIPXVFZSA-N	448.571	3.284	10	40	IGCB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1	100423085	BADXHQFPAYRFHQ-BOPFTXTBSA-N	427.511	3.052	10	40	IGCB	
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\NCCc3ccccc3)C2=O)c1C	408532317	QGIAPBTURGCIEV-FOWTUZBSSA-N	442.313	3.365	10	40	IGCB	
COc1ccc2c3c(n(NC(=O)c4cccnc4)c(=O)c2c1OC)-c1ccccc1C3=O	604405676	UFYFYQOKHQRUMF-UHFFFAOYSA-N	427.416	3.009	10	40	IGCB	biogenic
COc1ccc2c(c1OC)c(=O)n1c3ccc(O)c(CN4CCOCC4)c3c3ccnc2c31	8792317	NBZXFUGJUCAQQK-UHFFFAOYSA-N	445.475	3.147	10	40	IGCB	biogenic
CNC(=O)[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc2O1	12914323	ANZCUPLJQGVZGT-JOCHJYFZSA-N	439.475	3.088	10	40	IGCB	
C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccccc2F)SC1=S	13572977	JOMPDZLOGGSDEI-FDIDITGRSA-N	430.526	3.480	10	40	IGCB	
CSc1cccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1	220071595	JVFJPIFVUNZFQT-UHFFFAOYSA-N	447.626	3.481	10	40	IGCB	
CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3O)C(=O)NC2=S)c1	408741515	MLORVGRSTJOKRV-AUWJEWJLSA-N	447.856	3.184	10	40	IGCB	
CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O	408834676	UYXADHQOVJFSBB-UKTHLTGXSA-N	430.844	3.422	10	40	IGCB	
CN(C)c1nccc2cc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc12	1671749396	HSFOGESBIUQDBB-IBGZPJMESA-N	446.555	3.324	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc4nccnc4c3)C2=O)cc1	8991457	LZHKRQAQNMRUQY-ZDLGFXPLSA-N	436.518	3.478	10	40	IGCB	
COc1ccccc1OCCn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	9425677	AAGLWBDOJYRFCH-XDJHFCHBSA-N	449.438	3.381	10	40	IGCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc2n1	10165940	UDIZYDLGKSVOSS-UHFFFAOYSA-N	440.455	3.133	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1	409105496	IAGIKIUPFZWMPJ-SFQUDFHCSA-N	425.485	3.266	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc4nonc34)C2=O)cc1	9348063	RKHPCYPFGAIOHX-WJDWOHSUSA-N	440.506	3.461	10	40	IGCB	
CCc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1	10113166	NZCHCGZZTVUSNQ-UHFFFAOYSA-N	429.586	3.322	10	40	IGCB	
COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1	13504896	IXVWGLCUAOUDGD-HSZRJFAPSA-N	436.560	3.258	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1OC	17103333	APCMTJDAFQYPPT-HMAPJEAMSA-N	439.468	3.364	10	40	IGCB	
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1	34896184	LYVJYNQPHXMRQE-HMMYKYKNSA-N	443.459	3.174	10	40	IGCB	
COc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc(OC)c1O	41108429	GCJNXWMKCQQZGR-IXXVHFPFSA-N	428.495	3.333	10	40	IGCB	
COc1ccc(N(C)CCC(=O)N2CCO[C@@H](c3cccc(-c4ccc(N)nc4)n3)C2)cc1	257235399	GXRDZARGBOFQQC-HSZRJFAPSA-N	447.539	3.161	10	40	IGCB	
COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ccc(OC)cc3O)n2)c1	35425136	ZMUVLHOKKPKJSV-IBGZPJMESA-N	426.473	3.208	10	40	IGCB	biogenic,in-vitro
COc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	35597190	JIWSTFDUWFKRIF-HSZRJFAPSA-N	437.588	3.188	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1	96234411	JZVXQEFJQLRMDT-UDWIEESQSA-N	443.459	3.485	10	40	IGCB	
CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(C)cc4O)nn3c(O)c2C1	100234002	DBAAMNZUKXKXPK-NRFANRHFSA-N	449.555	3.471	10	40	IGCB	
Cc1c(Br)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccccc1	408904378	INLMKTIWFYLNLL-UHFFFAOYSA-N	432.343	3.455	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2ccccc2Br)c2ccc(N(C)C)cc2)CC1	23080559	PZMZCDTWRKFNGM-NRFANRHFSA-N	445.405	3.234	10	40	IGCB	
O=C1N/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	9265306	JSNXMUXZDDFDKX-LFIBNONCSA-N	428.832	3.182	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)CC	408536587	SEFYGMBEYOPFKF-DKIVAFIZSA-N	426.469	3.051	10	40	IGCB	
O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O)Nc1ccccc1	408695153	QYYKIBWZOLZTPT-XMHGGMMESA-N	433.464	3.109	10	40	IGCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1[N+](=O)[O-]	409222630	COCZJXJOYDANSA-VXLYETTFSA-N	445.435	3.372	10	40	IGCB	
CC(=O)c1ccc(N2C(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)SC2=S)cc1	8821635	VUYWUPQFHLFPEL-ZCXUNETKSA-N	438.486	3.096	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1	9796371	IXBZEQLIVSHCPM-RUZDIDTESA-N	445.475	3.473	10	40	IGCB	
CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)ccc21	223867390	ABUWGMUNGIFCLZ-UHFFFAOYSA-N	427.570	3.455	10	40	IGCB	
O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Cl)c2)C(=O)N1	408890193	PMCZCWSCELDVRJ-UHFFFAOYSA-N	435.661	3.431	10	40	IGCB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1	408904067	DEJFCGUHJUTBGW-BJMVGYQFSA-N	438.248	3.439	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C(=O)NC2=S)cc1	409187977	DXLBYPSQCKHDOO-CRRKTRLDSA-N	433.489	3.427	10	40	IGCB	
CN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)NC1=S	408915495	WIMYWGMEWBNGBL-RUDMXATFSA-N	426.237	3.418	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	9468933	VXKWKAJYYZCKOJ-NRFANRHFSA-N	436.556	3.426	10	40	IGCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)C(=O)NC1=S	59249571	NVDFNPRDZVKTGY-NTEUORMPSA-N	444.896	3.197	10	40	IGCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)cc1	409351522	USOIZCVMLPULOR-YVLHZVERSA-N	442.518	3.298	10	40	IGCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	59302612	FPFAAGRAKAPUCC-GXDHUFHOSA-N	446.326	3.474	10	40	IGCB	
CCOc1cc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])cc1OCC	9220532	LYCMGUMFZLTVOM-UHFFFAOYSA-N	449.529	3.212	10	40	IGCB	
CCN(CC)c1ccc(CN2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)c(O)c1	12117877	PQYWYNISLSSRJL-QGZVFWFLSA-N	425.577	3.116	10	40	IGCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)cc1	15012123	ADIWZKRPMXKSFC-MHWRWJLKSA-N	429.475	3.200	10	40	IGCB	
Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	26012232	LPGYHHGFBGPNKO-UHFFFAOYSA-N	437.448	3.475	10	40	IGCB	
Cc1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1I	2208483	QAOXWRWUOBVWIV-VIZOYTHASA-N	437.306	3.352	10	40	IGCB	
CC[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	2395908	WOKBVVULXVMIPK-SRMPHAGFSA-N	430.508	3.284	10	40	IGCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	8820411	HGRPJSPLYZTGBM-GUSDSWBTSA-N	440.502	3.487	10	40	IGCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCCC3)ccc21	8964183	SUFJAMKWRLGEDV-OAQYLSRUSA-N	426.948	3.224	10	40	IGCB	
CNc1cc([C@@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)nc(CN(C)C(C)=O)n1	72370161	HQIJGUZSJBPAME-OAQYLSRUSA-N	436.604	3.476	10	40	IGCB	
CC(=O)N1Cc2cc(C)ccc2OC2(CCN(Cc3ccc(N(C)CCO)cc3)CC2)C1	72394407	DYKPLKXYRMYBHH-UHFFFAOYSA-N	437.584	3.199	10	40	IGCB	
COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc(N(C)C)cc3)C2)cc1OC	5015217	CDXYLJPGONUWCA-IBGZPJMESA-N	425.485	3.312	10	40	IGCB	
CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)O	8870097	OZBMGPLFCFUMRR-DLEKYWELSA-N	436.555	3.046	10	40	IGCB	
COc1ccc2c(c1)c(/C=C1\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O)c(C)n2C	54360813	QUQXKTFMJUNMOO-HVVQPJKBSA-N	448.522	3.015	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccccc1C(=O)OC	101152574	SOGSOSVWQBKGRB-STZFKDTASA-N	437.452	3.134	10	40	IGCB	
Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc(S(=O)(=O)C(F)(F)F)cc1	102939757	VCMJPHSEACJZFA-GHVJWSGMSA-N	431.436	3.495	10	40	IGCB	
Cc1ccccc1N(CCCC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O	224664257	ITQDWYZOBROZTL-UHFFFAOYSA-N	429.586	3.458	10	40	IGCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3O)C(C(=O)OC)=C2C)cc1	409019630	VEPHQWWBZAMVBK-AQTBWJFISA-N	437.448	3.455	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OC)c1OC	409249833	LVDYDAGTNIZFFQ-JLHYYAGUSA-N	430.844	3.341	10	40	IGCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	9968765	QNUICDIQIJEQBD-SFHVURJKSA-N	433.599	3.138	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3cc(C)nc(-c4cccnc4)n3)CC2)cc1	49007085	KTALALUXHOOBOP-UHFFFAOYSA-N	435.553	3.297	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/C=C\c2ccco2)SC1=S)N[C@H](CO)Cc1ccccc1	54360614	JSYINGQEFHTYCG-OQQTZQECSA-N	442.562	3.147	10	40	IGCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2C)cc1	102129103	PWLHSHQZIWKQGL-NHCUHLMSSA-N	448.519	3.470	10	40	IGCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3[N+](=O)[O-])C2=O)ccc1Br	408532068	LWAXRSPMRNDEQL-FMIVXFBMSA-N	445.229	3.245	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1	408741398	PPFMCHVPGOHRTL-NTEUORMPSA-N	431.242	3.133	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S	9296614	YRNZNBUYBPDJFQ-CXUHLZMHSA-N	430.463	3.460	10	40	IGCB	
COc1cc(C(=O)NN2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc(OC)c1OC	12275295	VAHMRFKLXBCEAG-LWOAUJEXSA-N	446.506	3.408	10	40	IGCB	
C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	12591616	CFLCCBZYFNFIAW-QGZVFWFLSA-N	433.549	3.141	10	40	IGCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cccc(OS(C)(=O)=O)c3)C(=O)N=C2S1	41108092	MRXQGSFXUNCTDK-XGMUFTHNSA-N	440.506	3.001	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)cc1	408529727	JDAFBEQJVFJEKJ-RQZCQDPDSA-N	440.506	3.499	10	40	IGCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O	409100073	PQLYUSVRVFDIEA-LDADJPATSA-N	435.480	3.279	10	40	IGCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	409240251	SBFISPQHXRYRFB-ODLFYWEKSA-N	431.408	3.064	10	40	IGCB	
CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1	1192281	JAJSSXIMWORSTL-CPNJWEJPSA-N	447.403	3.493	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)c(C)c1	6795906	OFZKRKYIFKQMST-ZSOIEALJSA-N	444.896	3.252	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1	18173741	LWWMEQSWGBNIMJ-NDENLUEZSA-N	447.447	3.136	10	40	IGCB	
O=C1C[C@@H](c2ccc(O)cc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96222199	IIUWPMBVLWMVKF-ZDUSSCGKSA-N	448.383	3.429	10	40	IGCB	biogenic
CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	225476015	VRLXMVCEGADMES-UHFFFAOYSA-N	429.586	3.250	10	40	IGCB	
COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	408850289	KKFGTGIGNDYPAH-NTUHNPAUSA-N	449.232	3.272	10	40	IGCB	
CCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S	9427915	DOFJGKPNXGYWPQ-UDKOXHGFSA-N	428.583	3.398	10	40	IGCB	
CCN(CC)c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc1	8451565	VQPGJBYPXUNUGD-SXGWCWSVSA-N	429.343	3.461	10	40	IGCB	
COc1ccc2c(CCNC(=O)CN3C(=O)/C(=C/c4ccco4)SC3=S)c[nH]c2c1	9430217	GMZWGXMRPAHFRV-ZDLGFXPLSA-N	441.534	3.330	10	40	IGCB	
O=C(OCn1nnc2ccccc2c1=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	33679287	ITHGJNIVSJDYPD-UHFFFAOYSA-N	445.818	3.035	10	40	IGCB	
CN1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1	216948454	IULZKYYIEAMVHP-UHFFFAOYSA-N	428.385	3.365	10	40	IGCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C(=O)O	223579025	LEVFJKSSCCJWME-NHCUHLMSSA-N	436.537	3.152	10	40	IGCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	408936721	HIRBFZCWVLHATR-LFIBNONCSA-N	425.397	3.059	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1O	16282162	KCWWAIHMCJUXNE-MDWZMJQESA-N	431.242	3.138	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nnc(C)n3Cc3ccccc3)CC2)cc1	23473949	SVZPZFGCKBLPIE-UHFFFAOYSA-N	437.569	3.084	10	40	IGCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1ccccc1F	408877247	UMYHOAKDPPCXML-UHFFFAOYSA-N	447.260	3.327	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)c(OC)c1	409089499	MRIJOSGZITXSNA-YIMHWZMDSA-N	437.521	3.157	10	40	IGCB	
COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O	409352932	ZPBOOGMZRRFYMD-OVCLIPMQSA-N	436.536	3.320	10	40	IGCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccc([N+](=O)[O-])cn2)c2ccccc12	33388480	LMJLJWWEAYSYSQ-UNOMPAQXSA-N	425.404	3.395	10	40	IGCB	
CC(C)[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S	43730536	ROZSAQRUGNDIAV-NRRRNAOQSA-N	444.578	3.225	10	40	IGCB	
COC(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2cc(Br)ccc21	409126965	GJNLRQALADURBT-ACAGNQJTSA-N	425.329	3.408	10	40	IGCB	
COC(=O)/C=C1/SC(N2N=C(c3ccc4ccccc4c3)C[C@@]2(O)C(F)(F)F)=NC1=O	1415537	FZBNNQIXGYMMFE-RNYZQXAPSA-N	449.410	3.187	10	40	IGCB	
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	8396646	JJNWENYAMZPZOP-UHFFFAOYSA-N	435.457	3.440	10	40	IGCB	
O=C(NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2	8934368	ZBOVPYPCOIEXQG-ZNTNEXAZSA-N	432.546	3.039	10	40	IGCB	
O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12	9668760	PVRYLVJATWSIHT-KQWNVCNZSA-N	446.576	3.270	10	40	IGCB	
CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1	257280264	OKEXUNFXBCVMPI-MRXNPFEDSA-N	442.516	3.394	10	40	IGCB	
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\NNc3ccccc3)C2=O)c1C	408526354	BCMLPKVCYNJITK-GXDHUFHOSA-N	429.274	3.149	10	40	IGCB	
COC(=O)c1c(N2C(=O)C/C(=C3/C(=O)N(C)c4ccccc43)C2=O)sc2c1CCCC2	9547235	XXDVOKAAWLUONU-JXAWBTAJSA-N	436.489	3.107	10	40	IGCB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1	64877857	VINFJTCMMQEHKC-NRFANRHFSA-N	441.597	3.312	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1	100790025	YPORQKIALNXQEO-FTGFMQHASA-N	435.469	3.152	10	40	IGCB	
COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N([C@H](C(=O)O)C(C)C)C1=O	102735890	RKKCCQOYZLVTNZ-QLBUUCPGSA-N	436.486	3.404	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)CC	408536590	SEFYGMBEYOPFKF-IOJRUXGWSA-N	426.469	3.051	10	40	IGCB	
COc1ccc(N2CCN([C@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1	6804193	QXAQVZLOUPQGPV-PKTZIBPZSA-N	429.586	3.107	10	40	IGCB	
O=C(O)C1CCN(C(=O)CCCCCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1	13572351	WQIPLPXKRJNJCI-DTQAZKPQSA-N	436.555	3.364	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccc(N(C)C)cc2)CC1	23080571	LJCTVIWQCAMLMO-NRFANRHFSA-N	434.506	3.490	10	40	IGCB	
COCCN1C(=O)/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S	26840760	PCDBDZOZKXLPLJ-DTQAZKPQSA-N	439.518	3.334	10	40	IGCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	33667620	OCCUWMUFAQVHSG-XMHGGMMESA-N	429.388	3.275	10	40	IGCB	
COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1OC	9670873	IOJQKXIVOPSIBY-IBGZPJMESA-N	434.558	3.140	10	40	IGCB	
Cn1c(-c2ccccc2)cnc1SCc1cccc(S(=O)(=O)N2CCOCC2)c1	12549769	ZCFZYUJNMVOESO-UHFFFAOYSA-N	429.567	3.400	10	40	IGCB	
CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1	13669964	OKXTXDZZTVZGFE-GOSISDBHSA-N	445.585	3.156	10	40	IGCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NC[C@@H]2CCCO2)cc1	112293514	SFCVAWJIURQGMV-RLKVQFJASA-N	436.468	3.397	10	40	IGCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1	409093801	ACOQLSJEIXUKSX-LDADJPATSA-N	435.823	3.495	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@H]5C[C@H]34)CC2)cc1	61991213	BTDFXRGYBMACRJ-FAXZPQNASA-N	440.584	3.344	10	40	IGCB	biogenic
COc1ccc(N2CCN([C@H](CNC(=O)C(C)C)c3ccc4c(c3)OCO4)CC2)cc1	90485764	OCFSMXFBBOMCBJ-OAQYLSRUSA-N	425.529	3.059	10	40	IGCB	
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)S1	108172326	YGTOHEQESANHQL-YVLHZVERSA-N	429.885	3.464	10	40	IGCB	
COC(=O)[C@H](C)Oc1cc(O[C@@H](C)C(=O)OC)c2c(-c3ccccc3)cc(=O)oc2c1	634491	CUFBSIXIFWUXGC-KBPBESRZSA-N	426.421	3.341	10	40	IGCB	biogenic
COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc([N+](=O)[O-])c1O	36613189	RPTPILRJOPAQIF-UKTHLTGXSA-N	426.472	3.155	10	40	IGCB	
CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1	224781762	VDINJYWGVJMGGJ-SFHVURJKSA-N	447.601	3.402	10	40	IGCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)cc1	408885854	FZDKXHNUJVIYIM-XNTDXEJSSA-N	431.242	3.220	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)CCSc3ccc(F)cc3)CC2)cc1	9985506	TVFRFJPTIJXKIU-UHFFFAOYSA-N	432.517	3.209	10	40	IGCB	
Cc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1F	96936850	CWOFBAGATIHZOK-NVMNQCDNSA-N	444.509	3.494	10	40	IGCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1Cl	408939577	NCHASYOLENZHCT-XNTDXEJSSA-N	428.828	3.493	10	40	IGCB	
NC(=O)COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1	409225862	RPOYBVKAKIEFHZ-UHFFFAOYSA-N	441.443	3.134	10	40	IGCB	
COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NCC3CCC(C(=O)O)CC3)ccc12	2131097	MQGHBBGWYHTZHS-UHFFFAOYSA-N	439.464	3.341	10	40	IGCB	biogenic
COc1ccc(N2CCN(C(=O)c3cc4c(OC)c(OC)c(OC)cc4[nH]3)CC2)cc1	5355036	VOPRZBRGBOVFAX-UHFFFAOYSA-N	425.485	3.165	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)N=C2O)cc1	8741116	NOCDRNKWTQXODC-XNTDXEJSSA-N	444.285	3.395	10	40	IGCB	
Cc1cc(C)cc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1	9076129	LQYKSISIZQIEAG-STZFKDTASA-N	433.464	3.439	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N(C)C)ccc21	9135461	OBORKUYRPBWPRM-FQEVSTJZSA-N	448.489	3.445	10	40	IGCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1	20206152	QBBAWVFHXMWGFF-QNMDCZIWSA-N	441.538	3.024	10	40	IGCB	
CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)[C@@H]1/N=N\c1ccc(C(=O)O)cc1	104315405	MGZMNVCGRSQUDH-ANEHGGCBSA-N	441.831	3.264	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1	224988273	HPECXACLOGRLPA-UHFFFAOYSA-N	447.601	3.404	10	40	IGCB	
O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O	9096317	AFGFYXYPZUVGHY-UHFFFAOYSA-N	435.823	3.482	10	40	IGCB	
COc1cccc(N2C(=O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)C(=O)NC2=S)c1	409197642	LEXJIKFICHESDA-YBCYLVPRSA-N	439.537	3.124	10	40	IGCB	
COc1ccc2c3c(n(Cc4nnc5ccccn45)c(=O)c2c1OC)-c1ccccc1C3=O	604406376	UDZJZOCWEIUNLB-UHFFFAOYSA-N	438.443	3.321	10	40	IGCB	biogenic
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2	9514392	XSOLUCLTYUOSHU-DEOSSOPVSA-N	449.463	3.108	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1	9796376	IXBZEQLIVSHCPM-VWLOTQADSA-N	445.475	3.473	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCCC3)ccc21	23858054	USHAJMOOGAOJHE-QHCPKHFHSA-N	426.605	3.161	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	28330442	ZJCCGOPBBBZCMH-SFHVURJKSA-N	433.599	3.065	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)c(O)c1	33589942	ZSEZUSJUTWPJMM-VIZOYTHASA-N	432.454	3.069	10	40	IGCB	
C[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1	223654292	PDWHLJKAMSKQPA-SFHVURJKSA-N	445.585	3.329	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C(=O)NC2=S)c(C)c1	2144341	FFHIGMAYHJHQHL-LICLKQGHSA-N	433.489	3.174	10	40	IGCB	
Cc1nnsc1C(=O)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1	72342411	RMNBEFKOPBTGIS-UHFFFAOYSA-N	426.498	3.480	10	40	IGCB	
NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1	408904946	QVNNXNABDIQOPE-UHFFFAOYSA-N	441.443	3.134	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1OCC(=O)O	409330192	KKTBQYBSTICBNL-NVNXTCNLSA-N	446.462	3.473	10	40	IGCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1	2301981	KWGMRAKEVZEMIX-YBEGLDIGSA-N	446.371	3.040	10	40	IGCB	
O=C1/C(=C\C2=Cc3ccccc3OC2)SC(=S)N1NS(=O)(=O)c1ccccc1	13720944	JMDDMDNVALBVJJ-GZTJUZNOSA-N	430.532	3.100	10	40	IGCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(NCCOC)nc3ccc(C)cn3c2=O)SC1=S	16805817	VUKKELVGIVVTQI-OJNRTJSBSA-N	432.571	3.061	10	40	IGCB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C3/C(=O)NC(=S)N=C3O)cc2OC)cc1	2800804	DHDWDZRULORYIJ-UHFFFAOYSA-N	446.868	3.331	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(OC)c1OC	15219001	GGAQSFAWXZSNLV-GXDHUFHOSA-N	432.885	3.197	10	40	IGCB	
Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccccc1	103060349	LDMLEHQHLXAYRS-YSIASYRMSA-N	434.492	3.160	10	40	IGCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC)C2=O)c1	408857907	NNHVEZRNHXUPBO-GZTJUZNOSA-N	440.452	3.168	10	40	IGCB	
O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	409243663	ZKMRQDZJMXPMMO-OQLLNIDSSA-N	437.795	3.360	10	40	IGCB	
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1	409329647	HBJZHSXSEPONIZ-GDNBJRDFSA-N	448.547	3.236	10	40	IGCB	
O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccccc1	4174653	PJUHGQBHTGXSOL-FSSWDIPSSA-N	437.451	3.377	10	40	IGCB	
CCOc1cc(Br)cc([C@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)c1O	8589993	ROLNREIMXREQHU-INIZCTEOSA-N	438.347	3.457	10	40	IGCB	
CC(=O)N(C(C)=O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	15015758	RUDZXDWMSCRQJJ-SXGWCWSVSA-N	431.451	3.366	10	40	IGCB	
COc1ccc(/C=C2/C(=O)N=C(O)N(Cc3ccc(F)cc3)C2=O)cc1Br	17147040	ZIHHAGWQDLAOEE-ZSOIEALJSA-N	433.233	3.463	10	40	IGCB	
O=S(=O)(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1cccc2nsnc12	19079781	UOICFALOGBILBJ-UHFFFAOYSA-N	446.535	3.293	10	40	IGCB	
COc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1OC	65096222	VYKJPYHUPHCPTJ-UHFFFAOYSA-N	428.510	3.483	10	40	IGCB	
CSc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)N1CCCC1	223890150	DYLUUAJRNBZCJG-UHFFFAOYSA-N	433.599	3.189	10	40	IGCB	
COc1cccc(N2C(=O)/C(=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)C(=O)NC2=S)c1	409197641	LEXJIKFICHESDA-ATASCALFSA-N	439.537	3.124	10	40	IGCB	
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O	409228725	DDPZZMDEKGPQTB-WOJGMQOQSA-N	449.463	3.081	10	40	IGCB	
CCOC(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1	28434011	KWSNSZRGGWHYJU-UHFFFAOYSA-N	427.501	3.216	10	40	IGCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C2=O)cc1	103089407	PVRGPWWVYBHVDV-RCCKNPSSSA-N	434.496	3.256	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C\c2ccccc2)SC1=S	9348365	MSYKHXNWFLBCFB-UJFYRASASA-N	428.491	3.319	10	40	IGCB	
Cc1cc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)ccc1N1CCCC1=O	225777228	PUKMQDRPZWIQES-UHFFFAOYSA-N	437.613	3.360	10	40	IGCB	
C[C@@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	9347900	ANYXSGLZRQIGMO-CCWMHJGJSA-N	444.553	3.135	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)c1	13606957	BPLGGJBLYCNJTM-SXGWCWSVSA-N	428.491	3.233	10	40	IGCB	
Cc1cc(N2CCOCC2)ccc1CN1C[C@@H](c2ccccn2)[C@@]2(CCCCC(=O)N2)C1	19570699	AWFZXVYEHYOHDU-JYFHCDHNSA-N	434.584	3.255	10	40	IGCB	
Cc1nc(NCc2ccc(N3CCN(C)CC3)c(F)c2)ccc1I	97162782	UBBYCTMWUVPYTE-UHFFFAOYSA-N	440.304	3.498	10	40	IGCB	
Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1C	22735503	BFXJWECSNNUQOL-XMMPIXPASA-N	443.613	3.038	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccccc3C(C)C)CC2)cc1	23224709	RAWDFDKUMWAASR-JOCHJYFZSA-N	428.573	3.397	10	40	IGCB	
Cc1oc(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1C	16698507	WEDQQBVOFGZWTR-UHFFFAOYSA-N	444.509	3.300	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1	225517360	VAHRNBRVXQUQHX-FQEVSTJZSA-N	429.586	3.250	10	40	IGCB	
O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C/C=C/c1ccco1	1182251	BMYZJMGCJQZQDR-GSPDUGTFSA-N	434.189	3.107	10	40	IGCB	
COC(=O)[C@H](C)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S	1810199	IUXSTKGDFRXZJZ-FKEVTRRJSA-N	438.530	3.366	10	40	IGCB	
Cc1cc(-c2csc(CC(=O)N3CCOCC3)n2)c(C)n1-c1ccc2c(c1)OCO2	9118165	VKPZFEGFLUFQNZ-UHFFFAOYSA-N	425.510	3.348	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N(C)C)ccc21	13008618	ZLGNETRJVPQIIG-HXUWFJFHSA-N	432.927	3.219	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)C(=O)O	107632867	TZKPRYKAOUQXKZ-CDCQXCROSA-N	430.844	3.052	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C(=O)NC1=S	409172716	GYFPBEYSRGOBOA-GHRIWEEISA-N	447.472	3.015	10	40	IGCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCC(=O)O	13639053	AXDOBMHWCWLCJF-IOBVOHSESA-N	435.461	3.463	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C\c2ccccc2F)SC1=S	33545062	RJCVPQHVBCEWDD-LYQMGENXSA-N	446.481	3.458	10	40	IGCB	
CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	1958831	RNTYPIVFVMLSCU-LFIBNONCSA-N	428.495	3.207	10	40	IGCB	
CCN(CC)c1ccc(CN(C(=O)c2ccccc2OC)[C@H]2CCS(=O)(=O)C2)cc1	9161175	OZPBZXLPAAGQIQ-FQEVSTJZSA-N	430.570	3.371	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	32665907	KECPDVIKRPEGEA-UHFFFAOYSA-N	441.597	3.145	10	40	IGCB	
CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)cc1	6499408	NHIXQANQMAUDNU-JXAWBTAJSA-N	438.484	3.129	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1	9042396	BCZCNORUKCXEQJ-JFPYRBRCSA-N	448.610	3.440	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCCC3)ccc21	9138311	KJYSYAKBOFMAAZ-HSZRJFAPSA-N	438.547	3.490	10	40	IGCB	
COc1ccc(N2CCN([C@@H](c3ccc(N(C)C)cc3)c3nnnn3C(C)(C)C)CC2)cc1	13503980	MNRQNCRKBPJECU-QHCPKHFHSA-N	449.603	3.414	10	40	IGCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(SC4CCCCC4)o3)C(=N)N21	20239040	IOVHFBDYHIEAPH-LITBSJMGSA-N	438.556	3.326	10	40	IGCB	
COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	33457480	CTHRMKCEHZIBRT-KURFGLPPSA-N	437.437	3.431	10	40	IGCB	
COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	35597187	AODLJNGNQMFPTH-DEOSSOPVSA-N	437.588	3.188	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1O	409106898	PVADVAQJVJDLDD-UXBLZVDNSA-N	437.235	3.383	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N(CCO)Cc1ccccc1	8820343	AZLGHZRBFWZHPJ-NBVRZTHBSA-N	430.551	3.282	10	40	IGCB	
COC(=O)CCc1c(C)c2ccc(O)c(CNCCc3ccc(OC)cc3)c2oc1=O	20624022	MVEZWIQMVKRLSL-UHFFFAOYSA-N	425.481	3.254	10	40	IGCB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O	33702468	IEPYHMMLXBWUSY-HKWRFOASSA-N	427.460	3.474	10	40	IGCB	
O=C(NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1[N+](=O)[O-]	1908843	ZVTWYJVNZABIMP-ZROIWOOFSA-N	430.423	3.049	10	40	IGCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)c(C)c1	2672356	NSNYAHNNJARGEG-UHFFFAOYSA-N	430.464	3.386	10	40	IGCB	
Cc1cc(-c2csc(NC[C@@H]3CCCO3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	10036335	SSDNNRWKRRFHRD-INIZCTEOSA-N	432.571	3.456	10	40	IGCB	
COc1cc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc(OC)c1O	13624129	AFYGHLKIHJAGED-XSFVSMFZSA-N	439.537	3.198	10	40	IGCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)o1	33624279	MYYAFHGJGKDLOX-LDADJPATSA-N	428.466	3.139	10	40	IGCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc2c(c1)OCO2	223581843	RJIQGYQIOXACRZ-VXKWHMMOSA-N	436.537	3.183	10	40	IGCB	
CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC	575443528	WOUVXSMBKFKISR-ATVHPVEESA-N	438.436	3.239	10	40	IGCB	
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CCCC2)cc1	10188287	MDXQEJBNXBXPRT-FQEVSTJZSA-N	432.927	3.437	10	40	IGCB	
CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	33728807	MFNYTCXWYQNVEL-ATTDUZETSA-N	444.871	3.140	10	40	IGCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2cccc(C)c2)C(=O)N=C1O	102624402	ITNHLBODJVTRMS-LVSKKATPSA-N	446.463	3.157	10	40	IGCB	
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	408532517	IHVGNLQYLSRUTR-YBEGLDIGSA-N	443.253	3.349	10	40	IGCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S	409204894	DCYOMOMUYFUSGZ-PDGQHHTCSA-N	444.538	3.387	10	40	IGCB	
CCOc1cc(Br)cc([C@@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)c1O	8589994	ROLNREIMXREQHU-MRXNPFEDSA-N	438.347	3.457	10	40	IGCB	
CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)NC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	101057359	AGMQOTOFXQLJCG-QHAWAJNXSA-N	446.503	3.027	10	40	IGCB	
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)S1	222597708	LTZLPBNQENAGII-XMCHAPAWSA-N	425.514	3.416	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)cc1C(=O)O	9042561	GAWPRNQZVDULAY-ZROIWOOFSA-N	434.520	3.382	10	40	IGCB	
O=C1NC(=S)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(N2CCCCC2)cc1	17206278	DTIJXUXCBUEVMB-HEHNFIMWSA-N	434.565	3.459	10	40	IGCB	
COc1ccc(N2CCN(Cc3coc(O)c(CN4CCCCCC4)c3=O)CC2)cc1	101374599	FUKRZMUXCNVEFS-UHFFFAOYSA-N	427.545	3.052	10	40	IGCB	
Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C(=O)NC1=S	408935141	MQMQBTYNMQNYLN-QGOAFFKASA-N	431.473	3.315	10	40	IGCB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	260770831	UJWDHQILSIIWIU-GOSISDBHSA-N	445.585	3.183	10	40	IGCB	
CN1CCN([C@H](CNC(=O)COc2ccc3ccccc3c2)c2ccc(N(C)C)cc2)CC1	22664963	UEJFSXIZCUJVFF-AREMUKBSSA-N	446.595	3.390	10	40	IGCB	
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	408827154	CLSPDNMCTWAUQB-QAIWHXNASA-N	434.492	3.245	10	40	IGCB	
CCCN1C(=O)/C(=C/c2c(NCCCOCC)nc3ccccn3c2=O)SC1=S	2196216	UCHJRQYQFVQKKX-SQFISAMPSA-N	432.571	3.144	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Br)cc1	12772548	JQFRFIWGQMOGRU-UHFFFAOYSA-N	425.348	3.106	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CC(C)(C)NC(C)(C)C1	19921391	ZSJDWUSCTOAYLT-ZHZULCJRSA-N	430.524	3.264	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1O	108213900	KXSYJTQPDVFKOR-GZTJUZNOSA-N	430.507	3.346	10	40	IGCB	
COc1cccc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1	220178962	KGQUSPSWCMQMOP-GOSISDBHSA-N	445.585	3.156	10	40	IGCB	
Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]32)c1	253574450	SQCLNFQVIGTGKS-NJYVYQBISA-N	429.472	3.428	10	40	IGCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cccc(F)c1	408880390	JQSBIMAQOISONI-UHFFFAOYSA-N	434.876	3.371	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N(CCO)Cc1ccccc1	1265325	FALKSVKVKFSFCO-LGMDPLHJSA-N	432.592	3.361	10	40	IGCB	
CCOC(=O)Cn1c(C)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	9601613	WBJSNTFBCFFLHY-YBEGLDIGSA-N	432.523	3.189	10	40	IGCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(Cl)c3Cl)nnc2n1	1424158	IGDMYIHKQISKKF-UHFFFAOYSA-N	441.348	3.421	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C(=O)NC2=S)c1C	9264472	IULTZIQLDPEFIU-LICLKQGHSA-N	433.489	3.174	10	40	IGCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12	107541788	DPDIKLVFDOHEPM-PTNGSMBKSA-N	442.903	3.424	10	40	IGCB	
Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	409124019	IQUSBQUWXWVEQS-BOPFTXTBSA-N	425.514	3.290	10	40	IGCB	
Cc1c(C)n(C)c2ccc(C(=O)N3CCC[C@@H](CC(=O)NCC4CCN(C)CC4)C3)cc12	1848353525	HDMAAGALUCBDGH-NRFANRHFSA-N	438.616	3.495	10	40	IGCB	
COCCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S	6288653	XTTXKWNCTPKHBC-XDHOZWIPSA-N	437.496	3.102	10	40	IGCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2)cc1	41076649	JPUVWKRJSOLAQR-DJAVUMKTSA-N	426.479	3.012	10	40	IGCB	
COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1	41078421	SCFLLNDKAUVXKY-LMMXRSGHSA-N	433.420	3.373	10	40	IGCB	
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)S1	260769374	LTZLPBNQENAGII-VOBQZIQPSA-N	425.514	3.416	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)c1	1202329	BAXAJBMLSSUIPF-XNTDXEJSSA-N	428.286	3.490	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3Cl)C(=O)NC2=S)cc1	9934880	IALJDDFXVREYGJ-RIYZIHGNSA-N	432.885	3.197	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(OC)c1OC	33402997	MGUIVBIWTSQZMH-LFIBNONCSA-N	430.507	3.259	10	40	IGCB	
COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC	33688068	SMCYPZRELJSVEU-UYRXBGFRSA-N	437.448	3.368	10	40	IGCB	
O=C1NC(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)c(Br)c2)C(=O)N1	408806870	CBDRQVBZQLKOSJ-UHFFFAOYSA-N	435.661	3.431	10	40	IGCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)o2)cc1	409232401	OSUMINKXTXCBJR-LDADJPATSA-N	431.404	3.185	10	40	IGCB	
COc1ccc(N2CCN(CCCNC(=O)C(=O)c3c(C)n(C)c4ccccc34)CC2)cc1	9382955	VHTSZLREWQQDMO-UHFFFAOYSA-N	448.567	3.007	10	40	IGCB	
CN1CCCc2cc(/C=C3\SC(=S)N(NC(=O)c4cccc(O)c4)C3=O)ccc21	13684981	PMRKESKWLBQAPI-WQRHYEAKSA-N	425.535	3.321	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc(Cl)c1OC	98002417	IESKMWJDVRXFJS-FOWTUZBSSA-N	442.990	3.281	10	40	IGCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)o1	408692249	ILEUHTFOLAPJIV-LFIBNONCSA-N	425.397	3.268	10	40	IGCB	
Cc1cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccc2c(c1)OCO2	9635535	MRWBJPRQCFHPGY-HSZRJFAPSA-N	435.432	3.389	10	40	IGCB	
CCOC(=O)Cc1csc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)n1	9572345	WGWRDNKFTQAORS-UHFFFAOYSA-N	446.554	3.389	10	40	IGCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)O)o1	13638430	XUXXLGUXTCGTMM-YBEGLDIGSA-N	446.371	3.040	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1	409000023	WPDNTAXKUOQRPI-MOSHPQCFSA-N	445.479	3.136	10	40	IGCB	
NS(=O)(=O)c1ccc(CCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1	604404870	HLFUORZFJZTDKJ-UHFFFAOYSA-N	430.485	3.103	10	40	IGCB	biogenic
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCC3)ccc21	9135645	SSLNSTLBLJSGNY-HSZRJFAPSA-N	426.605	3.161	10	40	IGCB	
COc1ccc([C@H](CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)N2CCCC2)cc1	9469219	NLPHMQUSHFRNAR-DEOSSOPVSA-N	438.572	3.373	10	40	IGCB	
CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S	28296921	BGMMUFIIMTWGHD-YPOUMIDOSA-N	446.550	3.159	10	40	IGCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2cccc(C)c2)C(=O)N=C1O	102624405	ITNHLBODJVTRMS-MTGKDYNDSA-N	446.463	3.157	10	40	IGCB	
COc1ccc(N(C)CCC(=O)N2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1	257235442	GXWBOLYKCQAIQK-OAQYLSRUSA-N	448.527	3.050	10	40	IGCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1	408692419	MBVNZEXLWUQQKX-DEDYPNTBSA-N	434.448	3.368	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	408939403	MKBVNJAGWBLGET-MDWZMJQESA-N	446.213	3.032	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2ccc(Cl)cc2)c2ccc3c(c2)CCCN3C)CC1	22734715	ZVLSBUAKGPYVFQ-QHCPKHFHSA-N	426.992	3.441	10	40	IGCB	
CCc1cc2c(C)cc(=O)oc2c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O	22917968	AFAWGCMKQUITFC-UHFFFAOYSA-N	436.508	3.416	10	40	IGCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)o3)C2=O)c1	13880459	JAHMIOVOYBHGFU-GHRIWEEISA-N	439.468	3.344	10	40	IGCB	
CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3Cl)C1=O)OCO2	409240718	PNWKMXAIMXSVBI-KPKJPENVSA-N	430.869	3.299	10	40	IGCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1C	409131614	YMNFDBYEJPSCHE-FRKPEAEDSA-N	431.426	3.132	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OCC	409169296	WWAIBKVXMMGXNW-NTCAYCPXSA-N	426.494	3.324	10	40	IGCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC	409215189	YETPLTOFCCKGHH-SFQUDFHCSA-N	439.424	3.449	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CN(Cc3cccs3)C[C@H]3CCCO3)CC2)cc1	7907074	RKVMANNVAKAKCV-OAQYLSRUSA-N	429.586	3.087	10	40	IGCB	
CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3O)C2)c1	9126920	BCCIIFOEGMNFOM-SFHVURJKSA-N	425.466	3.348	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC1CC(C)(C)NC(C)(C)C1	19636637	QJFFEXGEVYMUOG-QNGOZBTKSA-N	442.560	3.134	10	40	IGCB	
C#CCOc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC	33655877	JRXYPXMSFNXICS-WJDWOHSUSA-N	441.281	3.321	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1cccc2c1C(=O)[C@@H]1C=CC=C[C@@H]1C2=O	101125269	CHYKUBGUDZTITC-BKSHLIBESA-N	439.427	3.003	10	40	IGCB	
Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408654358	BKBLGLAGGGQEBN-BHIFYINESA-N	446.503	3.039	10	40	IGCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1)Nc1ccccc1	408694463	HXZHGTMIIOBVAI-XSFVSMFZSA-N	433.464	3.109	10	40	IGCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1	8660998	XFCYMKYZBASCEO-IZZDOVSWSA-N	438.075	3.379	10	40	IGCB	
COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1	9646403	LXPRYEWPDASNMC-UHFFFAOYSA-N	446.550	3.207	10	40	IGCB	
COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1Cn1cccn1	19559466	SWXPCUPUUWWRIE-OFNKIYASSA-N	426.467	3.328	10	40	IGCB	
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C(=O)O)cc1	109036975	OIUIQOUNHSPBOU-XSFVSMFZSA-N	444.443	3.434	10	40	IGCB	
Cc1c(C)n(C)c2ccc(C(=O)N3CCC[C@H](CC(=O)NCC4CCN(C)CC4)C3)cc12	1848353526	HDMAAGALUCBDGH-OAQYLSRUSA-N	438.616	3.495	10	40	IGCB	
CCN1C(=O)/C(=C\C=C2/Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S	13549766	NOGAXGSFVCMOQE-YVKOIJOCSA-N	442.609	3.482	10	40	IGCB	
CC(C)c1noc(-c2ccc(OCC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)n1	32578884	QDFBOQVOJFQETL-UHFFFAOYSA-N	436.512	3.392	10	40	IGCB	
COc1ccccc1OCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	10213105	DCJBIULTLUBQMM-UHFFFAOYSA-N	445.427	3.031	10	40	IGCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)o1	109027135	FOWSRMBCINAOIG-MHWRWJLKSA-N	437.364	3.118	10	40	IGCB	
C[C@@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	13575138	GVDRFWICJLERNF-CCWMHJGJSA-N	444.553	3.135	10	40	IGCB	
CCCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OCC	13645847	ZIZCOVCMSZMIBJ-RQNDZEIBSA-N	441.596	3.262	10	40	IGCB	
C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1	222562873	DDRYTMUYQVPZMB-SFHVURJKSA-N	445.585	3.156	10	40	IGCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1	408785260	VKCRGGZTUFBEFW-NDENLUEZSA-N	428.529	3.309	10	40	IGCB	
CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(Cl)c3)C1=O)OCO2	409101253	WMSHHQYLQSCTCI-NSIKDUERSA-N	430.869	3.299	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)N3CCCC[C@@H]3CCO)C2=O)cc1	9348132	AXNPEGHUKSQKDW-AZNRJFAESA-N	434.583	3.048	10	40	IGCB	
COc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4ccc(F)cc4)c[nH]3)CC2)cc1	12069915	NCEKLDVMJZNWNO-UHFFFAOYSA-N	437.471	3.064	10	40	IGCB	
CCOC(=O)c1c(C)n(C)c2cc(CN(C)C)c(O)c(S(=O)(=O)c3ccccc3)c12	19530702	ZVGUKJLDTQYEJG-UHFFFAOYSA-N	430.526	3.263	10	40	IGCB	
CNC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	223281160	ZDSPFOQCPWAVTG-UHFFFAOYSA-N	437.930	3.389	10	40	IGCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C(=O)O)cc1	223579687	USTSDYZFNMONKL-SFTDATJTSA-N	436.537	3.152	10	40	IGCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-]	1203743	OQDOWSWZSSFHFA-QPEQYQDCSA-N	446.213	3.032	10	40	IGCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(N4CCOCC4)C3=O)o2)c([N+](=O)[O-])c1	13073927	OFDUXCBMHLVBIG-BOPFTXTBSA-N	447.494	3.312	10	40	IGCB	
COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	107888442	KPPSAHHYVOKTMM-ZEVOCZHWSA-N	435.263	3.395	10	40	IGCB	
CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O	2370536	OLBVJKDGHQXDNN-QINSGFPZSA-N	432.571	3.063	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2ccc3nccnc3c2)C1=O	13655292	BEJPKAGJEDAANM-ZDLGFXPLSA-N	436.518	3.478	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1	23721839	QNCRTJIUHOKPDU-XMMPIXPASA-N	445.519	3.219	10	40	IGCB	
Cc1cc(C(=O)CN(C)Cc2ccc(F)cc2F)c(C)n1-c1ccc(S(N)(=O)=O)cc1	95947980	DAEMVLSWJKDCGL-UHFFFAOYSA-N	447.507	3.334	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)c3ccccc3)C2=O)cc1	96401960	VWPXPZWLZPPXGN-WOJGMQOQSA-N	427.503	3.323	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC[C@H]3CCO)C2=O)cc1	9042398	BCZCNORUKCXEQJ-STZPCZCHSA-N	448.610	3.440	10	40	IGCB	
CCN1CCC(NC(=O)CSc2ncc(-c3ccc4c(c3)OCCO4)n2CC)CC1	27787024	WPQSSRIKCLMZCV-UHFFFAOYSA-N	430.574	3.034	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc(N2CCCCC2)ncc1Cl	40135748	YLZZRLCLUBPVHK-UHFFFAOYSA-N	429.952	3.229	10	40	IGCB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)cc21	408527044	DENXTNRPSUMADP-CXUHLZMHSA-N	432.527	3.319	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Cl)c3)C(=O)NC2=S)c(OC)c1	409095857	IQTGQHPQWBZURT-MDWZMJQESA-N	432.885	3.197	10	40	IGCB	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2CCN(c3ccccc3)CC2)cc1	12563477	MLYGTTBMQVCVDB-VWLOTQADSA-N	436.600	3.082	10	40	IGCB	
COc1cccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1	220178892	KGQUSPSWCMQMOP-SFHVURJKSA-N	445.585	3.156	10	40	IGCB	
COC(=O)COc1c(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cccc1OC	408531403	MXWKMARXEFNGBH-MHWRWJLKSA-N	432.523	3.203	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(OC)c3)C2=O)cc1	408883630	QMABPTYKUZJYIH-CXUHLZMHSA-N	431.242	3.133	10	40	IGCB	
CC[C@@H](C)Oc1cc(Br)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC	408904048	CWAMSRVSVPZIMY-SNVBAGLBSA-N	441.347	3.234	10	40	IGCB	
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1C	8801007	ZAQKESIUMRNCOS-JOCHJYFZSA-N	429.586	3.111	10	40	IGCB	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Br)cc1Cl	13004101	HTAJINBBUUHVNE-UHFFFAOYSA-N	439.740	3.275	10	40	IGCB	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1	27157618	AZOCEVQSLVUSRE-UHFFFAOYSA-N	429.586	3.041	10	40	IGCB	
CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CN(Cc1ccc3c(c1)CCCN3C)CC2	72372393	VEJZZYDMSKNRLX-QHCPKHFHSA-N	434.588	3.142	10	40	IGCB	
CCCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N(c2ccccc2)C1=S	96868522	VWECGHGFWCMRRQ-OBGWFSINSA-N	425.510	3.070	10	40	IGCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)CCn3c(C)csc3=O)c2C)cc1	10022032	JGZLWHHKSCBQGS-UHFFFAOYSA-N	428.510	3.451	10	40	IGCB	
Cc1ccc(N2C(=O)CN(c3ccc(OC(C)C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1C	11903819	ZGSCRSIKUAOTKE-VXKWHMMOSA-N	428.554	3.109	10	40	IGCB	
CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c(OC)c1	15013394	NLZBIYHFUFUAPT-UYRXBGFRSA-N	439.537	3.381	10	40	IGCB	
O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	89873022	WVYYAUIWKIBPHH-IBGZPJMESA-N	425.916	3.210	10	40	IGCB	
CCCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1cccc(OC)c1O	8778890	OHLDWPZJAPRART-SFHVURJKSA-N	431.514	3.250	10	40	IGCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(NCCc3ccccc3)nc12	12463158	POPKNGWUCMHMKK-GHRIWEEISA-N	436.562	3.489	10	40	IGCB	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2CCN(c3ccccc3)CC2)cc1	12563480	MLYGTTBMQVCVDB-RUZDIDTESA-N	436.600	3.082	10	40	IGCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)C1	260746430	XKJREUHBUVUNMZ-GCJKJVERSA-N	429.586	3.172	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1	408941298	VLQCOTJJDPQHJF-CPNJWEJPSA-N	431.473	3.315	10	40	IGCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O	409239973	OZLOYURJQFZQDZ-NBVRZTHBSA-N	445.431	3.241	10	40	IGCB	
Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1	10113608	QBEAJBVPHOJIQT-IBGZPJMESA-N	429.586	3.375	10	40	IGCB	
Cc1cc(CNCc2ccccc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	13137807	DFZJLRFHIINDBC-UHFFFAOYSA-N	439.581	3.405	10	40	IGCB	
COc1ccc(N2CCN([C@H](c3ccc(C)cc3)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504363	KQEBZKZVBLMZFZ-BJKOFHAPSA-N	448.571	3.081	10	40	IGCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OC(C)=O	13914677	LHLTXCVYYGDFDO-WDZFZDKYSA-N	449.291	3.104	10	40	IGCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)cc1	16692414	BPBPXHFINDVGNI-ATVHPVEESA-N	441.534	3.488	10	40	IGCB	
C[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	43730508	GVDRFWICJLERNF-FJLNVPPCSA-N	444.553	3.135	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	59248907	PJULNZRHEXFPCS-GXDHUFHOSA-N	430.258	3.309	10	40	IGCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1[N+](=O)[O-]	409392703	NFFJOPXCHTZBHC-YBFXNURJSA-N	445.435	3.372	10	40	IGCB	
CCc1ccccc1N1C(=O)/C(=C\c2cn(CC(=O)OC)c3ccccc23)C(=O)NC1=S	9355023	JCVIUKBLFXSSIP-PDGQHHTCSA-N	447.516	3.208	10	40	IGCB	
COc1ccc2c(/C=C3\SC(=S)N(NC(=O)c4ccc(O)cc4)C3=O)c[nH]c2c1	13688273	WWDSUHDQHFEXTM-IUXPMGMMSA-N	425.491	3.428	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(I)cc3)C2=O)c1	95471587	YWNXXBMKSALLLZ-XNTDXEJSSA-N	447.232	3.178	10	40	IGCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1	100799256	PAEQYYMANPWVNR-XSFVSMFZSA-N	438.915	3.061	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	225486655	DQAVURKQERHMEG-UHFFFAOYSA-N	445.560	3.143	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3COc4ccccc4O3)c2C)cc1	2658350	WGUVRQNIXSMUOY-HSZRJFAPSA-N	449.459	3.447	10	40	IGCB	
COc1ccc2cc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)ccc2c1	224675585	BIQUKYWNKUPAIG-UHFFFAOYSA-N	425.554	3.079	10	40	IGCB	
COCCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C	408967110	SHNBYLMBDZIBPC-GZTJUZNOSA-N	446.301	3.180	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)O)C2=O)cc1Cl	409049797	XLRBAIUXRMKCIY-VGOFMYFVSA-N	449.246	3.432	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc4nonc34)C2=O)c1	13575161	WJXWNOGFPOLQSH-DHDCSXOGSA-N	426.479	3.071	10	40	IGCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(Br)ccc1O	14414307	HRJZMWIYBGGKIH-SXGWCWSVSA-N	429.270	3.423	10	40	IGCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccc(CN2CCOCC2)cc1	22358695	MMGDUKVBDMTPMN-UHFFFAOYSA-N	436.581	3.328	10	40	IGCB	
COC(=O)CN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2OC)SC1=S	409212280	ONDPRXLDYGSGQV-WMZJFQQLSA-N	436.736	3.485	10	40	IGCB	
COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)SC1=S	409128540	PIRJQGVYJHPLJA-PDGQHHTCSA-N	429.567	3.111	10	40	IGCB	
C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1)C(=O)NC1CCCCC1	9191876	BMJHISLTVIWGMO-OAHLLOKOSA-N	446.525	3.432	10	40	IGCB	
O=C(O)CCCCCCCCCCN/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	20443151	HVWORGHCDZXKAQ-SDXDJHTJSA-N	433.480	3.478	10	40	IGCB	
CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc(N3CCCC3)c(C)c1)CC2	257307942	TUURXISYYJMICE-NRFANRHFSA-N	448.615	3.321	10	40	IGCB	
Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408654357	BKBLGLAGGGQEBN-BDTNDASRSA-N	446.503	3.039	10	40	IGCB	
Cc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1	13671259	WONVKUJSHZZJLV-LJQANCHMSA-N	429.586	3.456	10	40	IGCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1	20206338	PKVCKDNYJWOOSG-QNMDCZIWSA-N	441.538	3.024	10	40	IGCB	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(C)[C@@H]3CCCCN3C4=O)CC2)cc1	97138974	BINVCNQZFUTJSS-QHCPKHFHSA-N	434.540	3.060	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(I)cc3)C(=O)NC2=S)cc1	408743734	XTCRADYSZWLYFZ-XNTDXEJSSA-N	448.285	3.431	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1	12554817	NDUOIUSXVWVEPW-UHFFFAOYSA-N	430.448	3.243	10	40	IGCB	
COc1cccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1O	17996054	CNCJVMCKYBVHRF-GIWBLDEGSA-N	430.460	3.448	10	40	IGCB	
Cc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(C)n1-c1ccc(Cl)cc1	48325800	QJMFLEHXWZFPGY-GOSISDBHSA-N	429.948	3.459	10	40	IGCB	
CNc1cc([C@H]2CCCN(Cc3ccc4c(c3)CCCN4C)C2)nc(CN(C)C(C)=O)n1	72370164	JDXBVRMACIIOIU-NRFANRHFSA-N	436.604	3.259	10	40	IGCB	
Cc1cc(C(=O)CN2CCC[C@H]2c2cccn2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1	9847580	ZHHSVNTVHZQTDJ-QFIPXVFZSA-N	440.569	3.100	10	40	IGCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OC)c1	15012463	UEXNFUUNSUZXAX-DHDCSXOGSA-N	431.242	3.133	10	40	IGCB	
CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1	225776927	WYJVOTPKCHHWCN-UHFFFAOYSA-N	426.586	3.410	10	40	IGCB	
C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCC(C(N)=O)CC1	2739451	PXWRWXPNJXNOGT-UVTDQMKNSA-N	437.447	3.033	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)cc1	3555804	UQIFJTSBANRXML-INIZCTEOSA-N	428.554	3.387	10	40	IGCB	
CCN(CC)c1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1	27021004	QBQGSBDNUPBAJO-KYYPIKSYSA-N	434.521	3.057	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)COc4cc(C(C)(C)C)ccc43)CC2)cc1	51316214	XGBIGUWJFIMVDW-UHFFFAOYSA-N	437.540	3.067	10	40	IGCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(ccn3[C@H](C)C(=O)O)c2)C(=O)NC1=S	409194183	NYYLJQGFWLNPBM-RFRKOGIWSA-N	433.489	3.427	10	40	IGCB	
CN(C)c1ccc(/C=C2/SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1	15401557	ZKZPETMOZQBYQL-HMMYKYKNSA-N	437.525	3.453	10	40	IGCB	
O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(N2N=N2)c1)c1ccccc1	1651890	RAXBFWWKTQKMQO-UHFFFAOYSA-N	429.483	3.390	10	40	IGCB	
COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)NC4CCCC4)n3)CC2)cc1	9573683	WTAWZTVIXKAIIO-UHFFFAOYSA-N	443.573	3.107	10	40	IGCB	
COc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1	10113153	GJWCEPXBKNJITJ-GOSISDBHSA-N	445.585	3.156	10	40	IGCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)c1	409094602	DPCVZALATWOAQS-XSFVSMFZSA-N	445.431	3.241	10	40	IGCB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC	409371018	CNGGQMZVPJVLTM-NTUHNPAUSA-N	449.257	3.111	10	40	IGCB	
O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	102762277	VDEZKUQXZXNLAT-HBMCJLEFSA-N	447.403	3.057	10	40	IGCB	
CCOC(=O)c1sc(N2N=C(C)/C(=C\c3cc4c(cc3OC)OCO4)C2=O)nc1C	9144716	AGGSPYHTWXCJLF-AWNIVKPZSA-N	429.454	3.172	10	40	IGCB	biogenic,in-vitro
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/NN1CCCC[C@@H]1c1cccnc1	9311167	OQSBPJYHHGRUTH-VJSYINPZSA-N	441.944	3.098	10	40	IGCB	
COc1ccc(N(CCC(N)=O)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1	12562973	MPEXMEOBLOTWGM-UHFFFAOYSA-N	449.555	3.499	10	40	IGCB	
CCOc1cccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1	22395339	OLSTYVKTWYOCJY-UHFFFAOYSA-N	445.585	3.158	10	40	IGCB	
O=C1C[C@@H](c2ccncc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96221205	GWMYEOPAQXFFRQ-LBPRGKRZSA-N	433.372	3.118	10	40	IGCB	biogenic
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC	409091825	SDJPQPHZPIXDCJ-AYCSXLNKSA-N	437.539	3.017	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1O	409340320	UZYAAZHTFBSLQS-GIDUJCDVSA-N	432.435	3.444	10	40	IGCB	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nnc3n2CCCCC3)cc1	12606082	NBYYKZRCKFCNFQ-HXUWFJFHSA-N	443.617	3.370	10	40	IGCB	
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl	59139661	PPZVTJPUMUMVEH-UHFFFAOYSA-N	431.901	3.044	10	40	IGCB	
C[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1	223342514	RGAMQXUBNXQSOT-LJQANCHMSA-N	429.586	3.316	10	40	IGCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O	409248137	GHBPSLOGBBKVEX-UKTHLTGXSA-N	430.844	3.422	10	40	IGCB	
COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	6088728	TXPRDAVLFFZHSQ-UHFFFAOYSA-N	438.417	3.180	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCc3ccc(O)cc3)C2=O)cc1	13573621	JCRGJWCZTOFHQK-RGEXLXHISA-N	442.562	3.351	10	40	IGCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(N)=O)c12	409133521	UJSDWDNVBZRKPC-NVMNQCDNSA-N	436.562	3.485	10	40	IGCB	
COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC	409172719	HANJVXKTIJTIOI-XYOKQWHBSA-N	432.885	3.197	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1OC	1235915	BMVJCRXOQQZNIN-RQZCQDPDSA-N	430.507	3.249	10	40	IGCB	
COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O	2277947	TZQKWHXWJUYKKX-OQLLNIDSSA-N	433.233	3.259	10	40	IGCB	
O=C(C1=CN(c2ccc(Br)cc2)c2ccccc2S1(=O)=O)N1CCOCC1	48988552	KPVMWLSNCOLSPL-UHFFFAOYSA-N	449.326	3.075	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\NNc3ccc(Br)cc3C)C2=O)c(C)c1	408534916	RSKMCTDLOWFLKZ-XNTDXEJSSA-N	443.301	3.458	10	40	IGCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1	8818977	YJVXUECJSKEAMU-MGMWDDNKSA-N	433.463	3.084	10	40	IGCB	
Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2C(=NC1=O)SN=C2S(=O)(=O)CC(C)C	13574295	IEXWTRJFYWTLKP-CLFJUMGRSA-N	429.527	3.124	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)SC1=S	408962208	XJHGDJIPYZIOGP-CXUHLZMHSA-N	429.475	3.250	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OC(C)C	409196190	XMUQDMREJVVSRT-MHWRWJLKSA-N	440.477	3.012	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3OC)C2=O)cc1	409254330	WVRWHRYFLVLRTC-XSFVSMFZSA-N	435.480	3.361	10	40	IGCB	
COc1cc(/C=C2\SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)ccc1O	9312893	YQFILONIINLJCQ-UYRXBGFRSA-N	440.481	3.102	10	40	IGCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C(=O)O)c1	223579380	APLFKMZLFCUNQG-LEWJYISDSA-N	436.537	3.152	10	40	IGCB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1	224755161	GXWQVPUMADPWGG-LJQANCHMSA-N	429.586	3.168	10	40	IGCB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C	409391153	HRVPBHWXRNVNHA-XDHOZWIPSA-N	444.447	3.162	10	40	IGCB	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCCC2)N2CCc3ccccc32)cc1	10188411	SCZPKLGJKUKAEI-DEOSSOPVSA-N	434.584	3.422	10	40	IGCB	
Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c(C)n1-c1ccccc1	12532544	UOTZDGINQJGGLI-UHFFFAOYSA-N	437.452	3.446	10	40	IGCB	
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O	408534467	MAYZPIAPTLUKFE-GDNBJRDFSA-N	443.253	3.349	10	40	IGCB	
O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1Cc1ccco1	9419244	BUKZPEUXIOWGKU-CAOOACKPSA-N	426.475	3.294	10	40	IGCB	
CCCOc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OCC	9167713	ZIZCOVCMSZMIBJ-FMNVXAMXSA-N	441.596	3.262	10	40	IGCB	
COc1ccc(-c2cc3ccc(O)c(CN4CCC(C(=O)O)CC4)c3oc2=O)cc1OC	94993373	IWQNYWHYCUUWIH-UHFFFAOYSA-N	439.464	3.479	10	40	IGCB	
CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1	9234652	ZPBHGQJMKDJXFI-GIJQJNRQSA-N	425.466	3.156	10	40	IGCB	
COc1ccc(N2CCN([C@H](c3ccccc3OC)c3nnnn3C(C)(C)C)CC2)cc1	13504007	XCSVAHGEDNGRHE-JOCHJYFZSA-N	436.560	3.357	10	40	IGCB	
COc1ccccc1/C=C1/SC(=S)N([C@@H](C)C(=O)N2CCCC[C@H]2CCO)C1=O	13574101	KNTRSLZAJPENST-NBVZEGQWSA-N	434.583	3.048	10	40	IGCB	
COCCCNC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2	28249713	LSMSBQYNKYWECO-UHFFFAOYSA-N	426.535	3.333	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)c(C)c1	409130024	IBEXLVZFZLZMTR-RQZCQDPDSA-N	428.466	3.310	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)CCN3C)CC1	22733644	YSYWMTVUGSVVBU-QFIPXVFZSA-N	446.517	3.416	10	40	IGCB	
Cc1cc(C(=O)COC(=O)CN2C(=O)CCC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	58210343	UOTOIAPCZGXTCO-UHFFFAOYSA-N	437.279	3.276	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1O	408895745	FLSZOWWFDFWGHR-JYRVWZFOSA-N	431.242	3.138	10	40	IGCB	
COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12	2110645	JBMCOTJEJYLIDL-PUAOIOHZSA-N	437.492	3.487	10	40	IGCB	biogenic
Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S	9088294	GXEHGVXAAKFYJB-FRKPEAEDSA-N	443.462	3.178	10	40	IGCB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	225430045	UJWDHQILSIIWIU-SFHVURJKSA-N	445.585	3.183	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)Nc1ccc(O)cc1C(=O)O	13574593	GVUAKSRWQJRMBR-QOSQHLEFSA-N	444.490	3.470	10	40	IGCB	
CCCCN1C(=O)/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S	102823201	IEANAUUOQYHVAK-AOHITCTBSA-N	444.582	3.287	10	40	IGCB	
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)S1	260769371	LTZLPBNQENAGII-JSNMRZPZSA-N	425.514	3.416	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(OC)c1OC	409125027	MDKCJFSLSJIBBX-OQLLNIDSSA-N	426.494	3.161	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CCc3cc4c(C)cc(=O)oc4cc3OC)CC2)cc1	12324853	BJHBOJVORNUYAW-UHFFFAOYSA-N	436.508	3.400	10	40	IGCB	biogenic
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NCCc2ccc(O)cc2)C1=O	13572230	ZYPBAADNJGEJIH-RGEXLXHISA-N	442.562	3.351	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc4nonc34)C2=O)cc1	33581813	RKHPCYPFGAIOHX-LFIBNONCSA-N	440.506	3.461	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccccn1	409191999	SBVWHPQJUCNQMK-LDADJPATSA-N	446.488	3.019	10	40	IGCB	
COc1c(Br)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Br	96610591	FQDZCLKZQZLGPM-YHYXMXQVSA-N	434.109	3.327	10	40	IGCB	
COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21	408790483	SCAMUWXWDSGOFH-RQZCQDPDSA-N	437.839	3.134	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2cccc(Cl)c2)c2ccc3c(c2)CCCN3C)CC1	22734816	OOXZTIATOPOAHG-HSZRJFAPSA-N	426.992	3.441	10	40	IGCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O)Nc1ccccc1	409130135	WCCOGCIGVUIIHV-UYRXBGFRSA-N	441.484	3.337	10	40	IGCB	
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1	5009026	APZZYAUOTRCZTE-UHFFFAOYSA-N	433.467	3.196	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	13573092	XHDOGGIVKHBVDH-NUEDXCKTSA-N	446.481	3.458	10	40	IGCB	
COc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2I)c1	20529057	OPZYHNBPHHEGRZ-UHFFFAOYSA-N	438.265	3.389	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C\c2ccccc2F)SC1=S	33545061	RJCVPQHVBCEWDD-MDKXCRPYSA-N	446.481	3.458	10	40	IGCB	
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Br)cc1	59139238	AZPGRAXEZWQBBD-UHFFFAOYSA-N	432.343	3.455	10	40	IGCB	
COc1ccc(N2CCN(C(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccco3)CC2)cc1	3333961	KHGXZECUMGWXGW-HSZRJFAPSA-N	445.519	3.204	10	40	IGCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCc2c[nH]cn2)cc1	9421310	FKPQYLTXJCKTKV-JWGURIENSA-N	431.496	3.284	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@@H](CO)Cc1ccccc1	13572661	DXOYYULCQTVOQY-GCFJHJGGSA-N	440.590	3.388	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC	408800766	QTZGGQWIYAPKNW-VGOFMYFVSA-N	445.815	3.322	10	40	IGCB	
O=C(O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	409065346	KRVGFBNVQPZQHC-QPEQYQDCSA-N	435.219	3.123	10	40	IGCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1	9908232	ZCDQDGGCTRDRGF-FOWTUZBSSA-N	435.436	3.146	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(OC)cc1	17094400	YGJWTQMMRVPMAX-JCMHNJIXSA-N	425.460	3.206	10	40	IGCB	
O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)C(=O)N1	408812857	XJRNPECOFOWSNN-UHFFFAOYSA-N	435.661	3.431	10	40	IGCB	
CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(C)c1C	10962620	KWHLGBCREXJHKX-UHFFFAOYSA-N	429.586	3.474	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C(=O)N4CCCCC4)cc3)C2=O)cc1	13381982	KVQDZNMWTYNTQN-HKWRFOASSA-N	432.480	3.200	10	40	IGCB	
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cn1	33793072	VBKMWZVYKYKKOO-SFQUDFHCSA-N	432.392	3.252	10	40	IGCB	
CC1=NN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(=O)[C@H]1/N=N/c1ccccc1C(=O)O	102984863	FVXHANQYPFMYAF-IWKHNONTSA-N	429.776	3.457	10	40	IGCB	
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	408945087	VVBGRPJIEXDHAB-RIYZIHGNSA-N	445.815	3.322	10	40	IGCB	
CN(C)c1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1	9458571	OCWJKVPUJHHZDD-IBGZPJMESA-N	436.961	3.001	10	40	IGCB	
O=C1c2ccccc2C(=O)c2cc(C(=O)N3CCO[C@H](COc4ccccc4)C3)ccc21	12376776	KGNAJUHZZUWNLE-IBGZPJMESA-N	427.456	3.382	10	40	IGCB	
COC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cl	95471517	GZRNJAMAQOQDRQ-ZROIWOOFSA-N	434.235	3.359	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1	9296624	XGBWICAFXAYVKS-MHWRWJLKSA-N	439.511	3.433	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCc3ccc(O)cc3)C2=O)cc1	33581803	JCRGJWCZTOFHQK-XMHGGMMESA-N	442.562	3.351	10	40	IGCB	
Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@@H]32)c1	253574449	SQCLNFQVIGTGKS-HBMCJLEFSA-N	429.472	3.428	10	40	IGCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O	409091898	VPHDIVGDRPSSPI-LICLKQGHSA-N	439.443	3.110	10	40	IGCB	
CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc1OC	1238006	OKBJEYWLJIHFOX-BOPFTXTBSA-N	430.507	3.346	10	40	IGCB	
CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1	2903704	HHTCCHDYNMBKPH-LFIBNONCSA-N	428.495	3.207	10	40	IGCB	
COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1	8738448	YLNBRXPCQVOYSM-MDWZMJQESA-N	427.369	3.127	10	40	IGCB	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1	8765086	UFJBQTDYBXBKTJ-IBGZPJMESA-N	435.524	3.109	10	40	IGCB	biogenic
CCOc1c(Br)cc(Br)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	13004557	IOOXYOXZZLMADA-UHFFFAOYSA-N	446.095	3.044	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)N[C@@H](CO)Cc1ccccc1	13548201	JSYINGQEFHTYCG-YPZLSMIJSA-N	442.562	3.147	10	40	IGCB	
CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CN2Cc3ccccc3C2)C1)c1ccccc1	585165367	KDHSJFUUFISUCO-NRFANRHFSA-N	443.551	3.408	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	13573306	OQBKMAFFLQXVTF-MDKXCRPYSA-N	446.481	3.458	10	40	IGCB	
O=C1C[C@@H](c2cccc(O)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96222440	WKMLSBTXQLSSEX-ZDUSSCGKSA-N	448.383	3.429	10	40	IGCB	biogenic
O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1cccc([N+](=O)[O-])c1	9009289	AIWSSUHSBVSTCU-AQTBWJFISA-N	439.453	3.296	10	40	IGCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O	409213585	UWOMHLYGYDYINF-XSFVSMFZSA-N	442.475	3.464	10	40	IGCB	
C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccccc2F)SC1=S	9253607	JOMPDZLOGGSDEI-CYUIRQCWSA-N	430.526	3.480	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccc(N(C)C)cc2)CC1	23080573	LJCTVIWQCAMLMO-OAQYLSRUSA-N	434.506	3.490	10	40	IGCB	
CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)cc1	100762457	NHIXQANQMAUDNU-NBVRZTHBSA-N	438.484	3.129	10	40	IGCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(N)=O	409217320	PALHSZTYJMHUDF-WQRHYEAKSA-N	444.534	3.364	10	40	IGCB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	13805704	VDEZKUQXZXNLAT-QHAWAJNXSA-N	447.403	3.057	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@H](CO)Cc1ccccc1	33539197	DXOYYULCQTVOQY-RVPSJEOCSA-N	440.590	3.388	10	40	IGCB	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCCC2)N2CCc3ccccc3C2)cc1	36683769	SRDUURAADMQSIA-RUZDIDTESA-N	448.611	3.417	10	40	IGCB	
COc1cccc(N2C(=O)N=C(O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C2=O)c1	103103307	GJGMCIAMGIIZOL-RCCKNPSSSA-N	434.496	3.256	10	40	IGCB	
Cc1ccccc1NN/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O	408535353	SJRSCAXNKJDFFO-GXDHUFHOSA-N	443.301	3.458	10	40	IGCB	
COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O	409236527	SQJPLTWZGARDSF-XYOKQWHBSA-N	432.885	3.197	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)OC	15009012	KLZKFLKLIVPZBB-KPKJPENVSA-N	446.344	3.231	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12	19631210	IGEFUCTZOXQFGL-UHFFFAOYSA-N	440.322	3.366	10	40	IGCB	
CCOc1ccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1	225132322	JZPMHCCTNMXYCW-UHFFFAOYSA-N	433.574	3.014	10	40	IGCB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O	409048220	RNLWJTZNVODWIV-WOJGMQOQSA-N	442.493	3.480	10	40	IGCB	
COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCN(C)CC4)c23)c(OC)c1OC	604419288	KAUOQJLOQUWETA-UHFFFAOYSA-N	440.496	3.143	10	40	IGCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1O	1755283	CFZVZBQJUGMOPV-GZTJUZNOSA-N	430.507	3.346	10	40	IGCB	
COC(=O)[C@@H](C)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S	1810203	IUXSTKGDFRXZJZ-XAGMJWQQSA-N	438.530	3.366	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1nc2ccccc2c(=O)[nH]1	9235707	RQJWPHPRBJJZNQ-LICLKQGHSA-N	439.518	3.342	10	40	IGCB	
COc1ccc(N2CCC(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c([N+](=O)[O-])c1	9851548	XFJLWHACBNJTTQ-UHFFFAOYSA-N	433.486	3.005	10	40	IGCB	
Cc1ccc(NC(=O)CNC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1C	35673299	AEENUCDMXXNCHM-WOJGMQOQSA-N	439.562	3.260	10	40	IGCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c3ccccc3)cc2)C1	260845733	XGSSUILPRWXDAF-OALUTQOASA-N	429.586	3.421	10	40	IGCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccco2)C1=O	408535325	NPVLPHRSEAHEHW-SQFISAMPSA-N	432.388	3.174	10	40	IGCB	
CCOc1cccc(N2C(=O)/C(=C\c3cc4c(cc3OCC)OCO4)C(=O)NC2=S)c1	409101598	WMJGLQRAWDCSHH-PXNMLYILSA-N	440.477	3.044	10	40	IGCB	
COC(=O)c1cc(N/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc(C(=O)OC)c1	9421875	XAFAERJARQOODM-DEDYPNTBSA-N	437.452	3.377	10	40	IGCB	
CCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S	26503280	DOFJGKPNXGYWPQ-VWKMBWMVSA-N	428.583	3.398	10	40	IGCB	
COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=O)cc1	59417344	OKAMORHTJWIGQF-MHWRWJLKSA-N	445.269	3.128	10	40	IGCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1CCOc1ccc(Cl)cc1	13496679	DFFQMJNCLRAKKZ-UYRXBGFRSA-N	439.855	3.476	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1	223293870	BBDQEEHKCQUHSH-UHFFFAOYSA-N	441.956	3.408	10	40	IGCB	
COc1ccccc1Oc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cn1	408547108	XWZBJUODWIXZDS-VBKFSLOCSA-N	434.408	3.050	10	40	IGCB	
Cc1c(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408913122	SQXYHBHFFHCIOP-WOJGMQOQSA-N	434.477	3.163	10	40	IGCB	
C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1	9290923	URAVOYBAVAPYJS-PGMHBOJBSA-N	432.505	3.471	10	40	IGCB	
CCCn1ccnc1SCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	22715330	OLFPMZJLNYJORS-UHFFFAOYSA-N	432.571	3.323	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@@H]6[C@H]34)CC2)cc1	100744645	PRAIGGPCHKMTSE-MWHIZEFSSA-N	440.584	3.343	10	40	IGCB	
O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1NS(=O)(=O)c1ccccc1	102727691	JMDDMDNVALBVJJ-BOPFTXTBSA-N	430.532	3.100	10	40	IGCB	
Cc1cccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	408660157	KZMXZNWKUHPLRJ-BHIFYINESA-N	446.503	3.039	10	40	IGCB	
O=C(O)COc1ccccc1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O	1240187	TWDQICCURIEFDH-ZROIWOOFSA-N	445.225	3.419	10	40	IGCB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1cccs1	17095792	IQPKCSBAFILCGR-UYRXBGFRSA-N	428.470	3.028	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)NC2=S)c(C)c1	409141009	GPVXKCSTQOWWCR-SFQUDFHCSA-N	439.512	3.110	10	40	IGCB	
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	409187312	OTHRXGILICXQLB-VCHYOVAHSA-N	442.855	3.337	10	40	IGCB	
O=C1/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1NS(=O)(=O)c1ccccc1	3069432	DSLDKROUCWQXEL-VJSUNBITSA-N	447.519	3.246	10	40	IGCB	
COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	13546640	DNTZCGONONQOFK-YVLHZVERSA-N	437.839	3.134	10	40	IGCB	
COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC	5015218	CDXYLJPGONUWCA-LJQANCHMSA-N	425.485	3.312	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CN(Cc3cccs3)C[C@@H]3CCCO3)CC2)cc1	7907069	RKVMANNVAKAKCV-NRFANRHFSA-N	429.586	3.087	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc(OC)c1OC	9191943	PUULTIPMKJIUBP-MOSHPQCFSA-N	427.432	3.495	10	40	IGCB	
CN1CCN([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)CCN3C)CC1	22733647	YSYWMTVUGSVVBU-JOCHJYFZSA-N	446.517	3.416	10	40	IGCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)C1	222940025	NKTZIMNBYURNIW-LJQANCHMSA-N	429.586	3.001	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC[C@H]3CCO)C2=O)c1	13574222	WZYWZUVVIRNXBN-STZPCZCHSA-N	448.610	3.440	10	40	IGCB	
O=C1/C(=C/c2ccc(Br)s2)SC(=S)N1CCCN1CCOCC1	14201519	OHBVTGJSLQUQLP-BENRWUELSA-N	433.418	3.434	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)c3cccc(Br)c3)N3CCOCC3)ccc21	22733405	LXVJCUHTBKQSNJ-NRFANRHFSA-N	444.373	3.245	10	40	IGCB	
CCCCN1C(=O)/C(=C/c2c(N[C@H](CC)CO)nc3c(C)cccn3c2=O)SC1=S	8857879	QNQCBEJLKDQLDL-VQCBNXJZSA-N	446.598	3.187	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S	9430138	KDRHPXARYADUMY-MBBDXHFBSA-N	434.520	3.380	10	40	IGCB	
COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1OC	9670875	IOJQKXIVOPSIBY-LJQANCHMSA-N	434.558	3.140	10	40	IGCB	
COc1cc(Br)c(Br)c(/C=C2\SC(=S)NC2=O)c1O	15015536	KHYSZMKBBNJCCY-UQCOIBPSSA-N	425.123	3.415	10	40	IGCB	
C[C@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	43730171	ANYXSGLZRQIGMO-FTJFQBKMSA-N	444.553	3.135	10	40	IGCB	
Cc1nn(Cc2ccccc2)c(C)c1N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	59858853	WFPAVCZMAGXVFB-RCCKNPSSSA-N	443.507	3.165	10	40	IGCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)SC1=S	409141090	HJGZTDHMBZVZTP-YQYFLZKSSA-N	429.567	3.158	10	40	IGCB	
COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c2ccccc21	409228753	DOXIVXQVPFTSGY-WOJGMQOQSA-N	447.516	3.262	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1Cl	712598	IWZIKSNDWKGIDS-UHFFFAOYSA-N	437.304	3.495	10	40	IGCB	
COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N([C@H](C(=O)O)C(C)C)C1=O	13693022	RKKCCQOYZLVTNZ-COSNYCCFSA-N	436.486	3.404	10	40	IGCB	
CN(C)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O	16734054	OALBAEBECQXROB-VKAVYKQESA-N	436.562	3.204	10	40	IGCB	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCCC2)N2CCc3ccccc3C2)cc1	36683771	SRDUURAADMQSIA-VWLOTQADSA-N	448.611	3.417	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3OC)SC2=S)cc1	108149380	HQQFEAWCSHTWKK-MHWRWJLKSA-N	445.478	3.158	10	40	IGCB	
Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1ccccc1	3336952	LDMLEHQHLXAYRS-IHPCNDPISA-N	434.492	3.160	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C\c2ccccc2F)SC1=S	33545741	AJWXVVNQISUCNI-MDKXCRPYSA-N	446.481	3.458	10	40	IGCB	
COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c2ccccc21	9144451	ODNVGUDGEPHTRY-WQRHYEAKSA-N	431.448	3.098	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N(C)C)ccc21	9135460	OBORKUYRPBWPRM-HXUWFJFHSA-N	448.489	3.445	10	40	IGCB	
CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4O)nn3c(O)c2C1	100233976	ZMXHIQSVNRIFIB-FQEVSTJZSA-N	435.528	3.162	10	40	IGCB	
O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N1	408810584	JEPXRIFGONQNAF-UHFFFAOYSA-N	435.661	3.431	10	40	IGCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1	409193286	IKBZCBNVJXARBC-GHRIWEEISA-N	439.493	3.190	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H](CO)Cc1ccccc1	13572885	NIWGXIGJRASDGG-YHZJOHHESA-N	432.592	3.059	10	40	IGCB	
O=C1[C@H]2[C@@H](c3ccc(O)c(O)c3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	102762279	VDEZKUQXZXNLAT-PWRODBHTSA-N	447.403	3.057	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	104090824	FUEQWUQEKJEBIC-LYEHZDMLSA-N	449.496	3.461	10	40	IGCB	
CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Oc2ccc([N+](=O)[O-])cn2)c1	107913525	CUJOGYYZBJYGOO-UNOMPAQXSA-N	445.435	3.310	10	40	IGCB	
Cc1ccc(CN(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)cc1	224906046	JUNJCSUCYGEEJP-HXUWFJFHSA-N	443.613	3.309	10	40	IGCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)c1	409096578	KPIQHAHGGKBXLN-DEDYPNTBSA-N	429.432	3.459	10	40	IGCB	
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1	8801596	OEURIJMSZMXLFL-HSZRJFAPSA-N	429.586	3.193	10	40	IGCB	
COc1ccc(N2CCOCC2)c(NC(=O)c2cccc(I)c2)c1	21123912	CLZPFHVPBSXAEQ-UHFFFAOYSA-N	438.265	3.389	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1	224670957	UUTIHCWMIUHNAR-QGZVFWFLSA-N	433.574	3.012	10	40	IGCB	
COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21	9311799	XAUZMEPBLPIEQF-ODLFYWEKSA-N	447.516	3.262	10	40	IGCB	
O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1C(=O)O	9429955	RQUJSPYHWOXZNX-AQHRCUNFSA-N	440.502	3.487	10	40	IGCB	
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O	408527896	AHCSPHZXOIASHF-XCYJOCAISA-N	447.285	3.025	10	40	IGCB	
Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1	408654364	BKBLGLAGGGQEBN-VSKRKVRLSA-N	446.503	3.039	10	40	IGCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(OC)c1O	409059496	RPTBLQMABMOOJR-WJDWOHSUSA-N	425.437	3.295	10	40	IGCB	
O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1	409394038	USDJJHBFGKZHGV-SFQUDFHCSA-N	437.253	3.301	10	40	IGCB	
CN1C(=O)/C(=C\c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)SC1=S	20265280	ZISBMKSPNHFMFQ-HMMYKYKNSA-N	437.590	3.476	10	40	IGCB	
C=CCOc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC	34765797	RKLLBCLQSKOAFB-LFIBNONCSA-N	429.270	3.484	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC#N	108058620	RQMNMWUXWRZDEQ-GDNBJRDFSA-N	442.269	3.212	10	40	IGCB	
COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4C(=O)C(C)C)CC2)cc1	19085746	JPBJEYVSGLUFIJ-VWLOTQADSA-N	437.584	3.486	10	40	IGCB	
Cc1cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1ccc2c(c1)OCO2	35392532	QCFOAEAHIUYINA-UHFFFAOYSA-N	435.480	3.057	10	40	IGCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1I	408549928	BRGGDPCHIIAUHB-JLHYYAGUSA-N	434.258	3.123	10	40	IGCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)OC	409087428	CLXPTRDHRMAYSK-AYCSXLNKSA-N	437.539	3.017	10	40	IGCB	
CCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	9459328	UXTCJMLUBAXRFB-OAQYLSRUSA-N	430.570	3.371	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)N2CCCC[C@@H]2CCO)C1=O	33583991	KNTRSLZAJPENST-AZNRJFAESA-N	434.583	3.048	10	40	IGCB	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccc(S(N)(=O)=O)cc1	100524784	WYSODDOJKIHKLH-AWZKZOKMSA-N	440.510	3.333	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1cccc2c1C(=O)[C@H]1C=CC=C[C@@H]1C2=O	101125272	CHYKUBGUDZTITC-HOIWHWPGSA-N	439.427	3.003	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(OC)c1OC	409122771	BKAFMJBONADVRE-RVDMUPIBSA-N	426.494	3.161	10	40	IGCB	
Cc1cc(C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c(C)n1-c1ccc2c(c1)CCC2	9726341	UKCVWGMZGQASSL-UHFFFAOYSA-N	440.507	3.218	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1	12543387	GSDRDWDCZLEUSL-XMMPIXPASA-N	445.519	3.361	10	40	IGCB	
Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2c1	13574302	BSMNGCVIJNQDAI-CLFJUMGRSA-N	429.527	3.185	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@@H]6[C@@H]43)CC2)cc1	108234647	PRAIGGPCHKMTSE-VYFASNECSA-N	440.584	3.343	10	40	IGCB	biogenic
COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C(=O)O)cc1	109036972	OIUIQOUNHSPBOU-ZHZULCJRSA-N	444.443	3.434	10	40	IGCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1	408695625	WWKMDVUWLDAUTG-DEDYPNTBSA-N	434.448	3.368	10	40	IGCB	
CS(=O)(=O)N1CCc2cc(NC3(c4ccccc4)C(=O)c4ccccc4C3=O)ccc21	1428818	IXWJELZKWRBUEU-UHFFFAOYSA-N	432.501	3.395	10	40	IGCB	
CCOC(=O)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1	48988632	VXGIRAABQGZUKC-UHFFFAOYSA-N	444.484	3.392	10	40	IGCB	
CN1CCN(c2ccc(CNS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)CC1	216949358	HYWTYQJVZVTYKP-UHFFFAOYSA-N	428.385	3.365	10	40	IGCB	
CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	8036084	ZPFBYZXLZPIINH-SRCYTUNASA-N	449.551	3.305	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CCC(=O)N3CCCC[C@H]3CCO)C2=O)c1	8971203	NWAUPQDGVZIJBR-IYWFSZBXSA-N	434.583	3.050	10	40	IGCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nccn3C)c2C)c1	21174169	FMMGOALUEYUDHZ-UHFFFAOYSA-N	441.509	3.376	10	40	IGCB	
O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1C[C@H]1CCCO1	97040468	KCTLDGGGNQAOFL-HNMKQIAWSA-N	441.578	3.452	10	40	IGCB	
O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1)Nc1ccccc1	409263943	DBYNMFGJKZVHMR-QNGOZBTKSA-N	441.443	3.371	10	40	IGCB	
CN(C)c1ccc(/C=C2\SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1	9245260	ZKZPETMOZQBYQL-HKWRFOASSA-N	437.525	3.453	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(O)c(C(=O)O)c1	33536401	ZJDZYOHACZDVSR-VIZOYTHASA-N	432.454	3.069	10	40	IGCB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCC(=O)Nc1cccc(C)c1	108031933	UPAZINSENCAZDC-ODLFYWEKSA-N	439.493	3.128	10	40	IGCB	
COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cccc(S(=O)(=O)O)c2c1O	257347780	UCFQDOZLTUVRPL-UHFFFAOYSA-N	438.439	3.463	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1	408998788	SFACBEVPXUICCI-DEDYPNTBSA-N	429.480	3.435	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(C3=NN=C(NC[C@@H]4CCCO4)SC3)c2C)cc1	9120653	CJDCLJAGDUIMPC-SFHVURJKSA-N	426.542	3.456	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)NC2=S)cc1	9198717	ZROPEAKONOIMST-ZHZULCJRSA-N	433.533	3.225	10	40	IGCB	
Cc1cc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c(C)n1-c1ccccc1	13146192	ZAMFOVMERKOWHI-UHFFFAOYSA-N	449.463	3.370	10	40	IGCB	
O=C1/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(O)=NC(=S)N1c1ccccc1F	83327291	DOMXLBXYIIBODG-UXBLZVDNSA-N	432.345	3.019	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)CC2)cc1	102397063	DBBPRYIGDGTBHH-RDNZODCXSA-N	446.975	3.465	10	40	IGCB	
CCN1C(=O)C(=Cc2cc(C)n(-c3ccccc3C(=O)O)c2C)C(=O)N(CC)C1=S	409200061	GETJLDAGTVIVST-UHFFFAOYSA-N	425.510	3.171	10	40	IGCB	
COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1OC	2253384	OOAQGBDDFCLJRP-XNTDXEJSSA-N	445.478	3.158	10	40	IGCB	
CCc1ccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1	17095909	VBAMFMSIJLAMPU-UHFFFAOYSA-N	428.514	3.003	10	40	IGCB	
CCc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C(=O)NC2=S)cc1	409377602	IQPYXPDTSAHGCL-WOJGMQOQSA-N	433.489	3.120	10	40	IGCB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	12545478	HYXNISIPUSAVKU-UHFFFAOYSA-N	431.558	3.465	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCN(Cc2ccccc2)CC1	20647338	QBDZVOSUXMHGSJ-HMMYKYKNSA-N	437.590	3.232	10	40	IGCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O	409094828	FZLCFZXHWRXMLJ-XMHGGMMESA-N	429.432	3.404	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC(C)=O	409334256	WKKMTQWTCUNWSV-BOPFTXTBSA-N	428.491	3.167	10	40	IGCB	
CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1	8964093	XCXIZVHPBJVCHO-OAQYLSRUSA-N	438.597	3.293	10	40	IGCB	
O=C1/C(=C/N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)SC(=S)N1CCc1ccccc1	30819332	PQAARVOAKNUHBB-VOVPWFJUSA-N	437.590	3.212	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O	408848487	VILISVRLGRXDEC-NTUHNPAUSA-N	431.788	3.019	10	40	IGCB	
COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)CC2)cc1	9651288	AXCIJUAJPUPMJS-UHFFFAOYSA-N	442.566	3.357	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)c1C	409122153	ZXFPVHLNVLMBLP-CPNJWEJPSA-N	429.432	3.459	10	40	IGCB	
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	409186890	JDSYIEUIJAIZQU-WOJGMQOQSA-N	442.855	3.337	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCC3)ccc21	9135576	UIHFNHITQAVUJX-XMMPIXPASA-N	438.616	3.329	10	40	IGCB	
COCCN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S	40221232	PCDBDZOZKXLPLJ-SSZFMOIBSA-N	439.518	3.334	10	40	IGCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1	408772464	PMFVZTGBYMSDGC-HMAPJEAMSA-N	448.519	3.463	10	40	IGCB	
CCCOC(=O)CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S	1798080	SXOLTQDXNFMJMX-PTNGSMBKSA-N	425.528	3.257	10	40	IGCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(F)cc1	2355509	XJUIDMAWBRESNU-XDHOZWIPSA-N	443.500	3.128	10	40	IGCB	
CCN(CC)c1ccc(CN(C(=O)c2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1	9281483	ZENOIAIMKCOBCD-OAQYLSRUSA-N	430.570	3.371	10	40	IGCB	
COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	13648064	KLFPUQDSVWYCRI-VGOFMYFVSA-N	430.844	3.341	10	40	IGCB	
CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2C[C@@]3(C)C[C@H]2CC3(C)C)C(=O)N(C)C1=O	103763135	YKCICNZUZSTJAK-IVZQSRNASA-N	426.473	3.044	10	40	IGCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c1C	409066645	LXRDMBOYVXAFRT-XWAFYUISSA-N	442.493	3.479	10	40	IGCB	
CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O	409188885	BPRAMNXKVCZVGU-GDNBJRDFSA-N	430.869	3.268	10	40	IGCB	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1Cl	12916955	BGOXRCJYMYDRPO-UHFFFAOYSA-N	445.769	3.336	10	40	IGCB	
O=C(O)CN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	13149273	RPJFYLXGCBTESX-CXUHLZMHSA-N	446.481	3.129	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1	59488626	QSDNMYIMZYYNIL-UHFFFAOYSA-N	442.503	3.270	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)C(=O)NC1=S	9264716	DJWAEJMUSSXTKU-AQTBWJFISA-N	432.505	3.329	10	40	IGCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)c4ccccc4)co3)CC2)cc1	56949906	KJRZVZHQJOZBQO-UHFFFAOYSA-N	434.492	3.232	10	40	IGCB	
O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1C[C@@H]1CCCO1	97040467	KCTLDGGGNQAOFL-AMRJIULGSA-N	441.578	3.452	10	40	IGCB	
Cc1ccc(NN/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1	408531583	ONPXXAVCNCUKMT-XNTDXEJSSA-N	443.301	3.458	10	40	IGCB	
COc1ccc(N2CCN([C@@H](CNC(=O)C(C)C)c3ccc4c(c3)OCO4)CC2)cc1	90485763	OCFSMXFBBOMCBJ-NRFANRHFSA-N	425.529	3.059	10	40	IGCB	
COC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	408549971	CHMHZSLCQGTEQK-LCYFTJDESA-N	433.848	3.009	10	40	IGCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C(=O)NC2=S)c1	409236441	GHOBADXDSCGDPH-LICLKQGHSA-N	433.489	3.174	10	40	IGCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C(=O)NC1=S	409393557	YMICAMIAULKGHR-XDHOZWIPSA-N	446.532	3.235	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	9042524	LGIFUVCKMCGIIU-CXUHLZMHSA-N	446.481	3.460	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1ccccn1	9221436	CGYJJBFIJWWKKP-NRFANRHFSA-N	441.491	3.316	10	40	IGCB	
Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(CC(=O)N3CCCCC3)SC2=NC1=O	9281965	QGROHEIESYPYNC-LFSVSOHWSA-N	434.525	3.498	10	40	IGCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C	409244117	XZWUWFMSAFKMFH-VXLYETTFSA-N	444.447	3.162	10	40	IGCB	
O=C(O)CCCCCN1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S	9419446	CHYVVHRXBWZFDI-LZYBPNLTSA-N	446.506	3.103	10	40	IGCB	
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1Cl	9135452	LPSYZXMAWLTTCV-NRFANRHFSA-N	428.964	3.388	10	40	IGCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	24975832	LICGPZNVPRWVPD-NRFANRHFSA-N	436.581	3.196	10	40	IGCB	
COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C(C)C	223309098	MHALZIAMCZIXOU-UHFFFAOYSA-N	431.602	3.357	10	40	IGCB	
CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O	408938021	KEQYZDAMSXCZIP-LFIBNONCSA-N	428.828	3.493	10	40	IGCB	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc2c(c1)OCCO2	33587506	IQGUJVXTHJBWCR-UHFFFAOYSA-N	443.411	3.029	10	40	IGCB	
COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OC(C)=O	58866183	CENLXCCOZIJQPI-UHFFFAOYSA-N	425.231	3.137	10	40	IGCB	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(C)[C@H]3CCCCN3C4=O)CC2)cc1	97138972	BINVCNQZFUTJSS-HSZRJFAPSA-N	434.540	3.060	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N[C@H](CO)Cc1ccccc1	33536740	GMJPBMAKHSTTNO-PBXDPIQXSA-N	446.981	3.261	10	40	IGCB	
Cc1ccccc1C(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	96936831	XPJNHCYQUFOSHU-WQRHYEAKSA-N	426.519	3.355	10	40	IGCB	
O=C1Nc2ccccc2/C1=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	110422981	DFSZUQGBJVAWPN-MSUUIHNZSA-N	439.562	3.458	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C\c2cccs2)SC1=S	33542133	CGHQUUJPXUWEJW-PFMRQGHBSA-N	434.520	3.380	10	40	IGCB	
COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2)C1=O	409222826	DETBAXOQZDQMJY-ZHZULCJRSA-N	434.496	3.217	10	40	IGCB	
COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O	409228186	VNSJGMIXTZDXIX-MDWZMJQESA-N	430.844	3.341	10	40	IGCB	
COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	10029772	MGEJGGCLAQPQNM-UHFFFAOYSA-N	449.484	3.273	10	40	IGCB	
CC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21	19848871	VGNXSJKGRLRVPQ-UGCAPWQASA-N	430.460	3.229	10	40	IGCB	
O=C1[C@H]2[C@@H](C(=O)N1C1CCCC1)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O	96850550	LVHHDVYHEGHVMY-AQNXPRMDSA-N	433.435	3.259	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1	225841280	XOZGHCNBVGSGMB-UHFFFAOYSA-N	435.615	3.192	10	40	IGCB	
COc1cc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C(C)=O)CC2)ccc1O	10214596	MCJISNIOFHHXDP-LJQANCHMSA-N	437.496	3.292	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	13573310	OQBKMAFFLQXVTF-LYQMGENXSA-N	446.481	3.458	10	40	IGCB	
COc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1	96936843	NYXXTJHOJYKBRI-WQRHYEAKSA-N	442.518	3.055	10	40	IGCB	
CCN(CC)c1ccc(C=c2sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1	252476743	APTIFHAMDODBRD-UHFFFAOYSA-N	436.537	3.229	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O	409339310	TYQGSSRCGQUZGX-SXGWCWSVSA-N	446.462	3.473	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H](CO)Cc1ccccc1	13573113	WUHRGHLCYPYOSA-LVSMMTLPSA-N	446.981	3.261	10	40	IGCB	
CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CN(Cc1ccc3c(c1)CCCN3C)CC2	72372392	VEJZZYDMSKNRLX-HSZRJFAPSA-N	434.588	3.142	10	40	IGCB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1	260839041	GXWQVPUMADPWGG-IBGZPJMESA-N	429.586	3.168	10	40	IGCB	
CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O	1480745	UFFFNVSSDRWPII-SLVCOGOPSA-N	446.598	3.043	10	40	IGCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1	3659456	AZNXURWUPAMTEA-UNOMPAQXSA-N	445.431	3.485	10	40	IGCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N[C@@H](CO)Cc1ccccc1	9429390	IDXQTEBDYSHRRQ-MCROIAMWSA-N	438.574	3.164	10	40	IGCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	12641159	IXRYPEJFUXMPBV-OBGWFSINSA-N	441.597	3.424	10	40	IGCB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	33489204	LDOVWSPMMVTVHH-DEDYPNTBSA-N	444.443	3.434	10	40	IGCB	
COc1cc(N2CCCC2)c(OC)cc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1	72336803	GSVDQYFXAWQMLO-UHFFFAOYSA-N	447.539	3.008	10	40	IGCB	
Cc1cccc(COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c1	408872110	KNYURDPUQGBPIJ-UHFFFAOYSA-N	431.311	3.251	10	40	IGCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)C2=O)cc1	409042563	NJBFRFJCBBKDBT-NTUHNPAUSA-N	435.219	3.152	10	40	IGCB	
Nc1cc(N)cc(C(=O)OCC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)c1	9612491	NUSZCBYNZJMHRE-UHFFFAOYSA-N	449.850	3.075	10	40	IGCB	
CCOc1cccc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)c1O	19520006	DAHMQRPMDNEIMU-UHFFFAOYSA-N	426.561	3.414	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	28335567	KEDIGBYAVBYXSB-FQEVSTJZSA-N	427.570	3.004	10	40	IGCB	
O=C(CSc1nnnn1C1CCCCC1)NCc1cc(Cl)c2cccnc2c1O	41107898	MYUSJOKBGLYHDR-UHFFFAOYSA-N	432.937	3.494	10	40	IGCB	
COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O	409129078	IMSDDAMKPZOILW-OQLLNIDSSA-N	426.494	3.161	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1O	9260037	VENZUHWOXRWBIW-NTUHNPAUSA-N	449.232	3.359	10	40	IGCB	
COC(=O)c1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1	49003806	GZFJJLLVXJCMJH-UHFFFAOYSA-N	440.521	3.499	10	40	IGCB	
O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1	62225709	XDCYLHAGMZOQAW-UHFFFAOYSA-N	447.626	3.456	10	40	IGCB	
COC(=O)[C@@H](C)Oc1cc(O[C@H](C)C(=O)OC)c2c(-c3ccccc3)cc(=O)oc2c1	634496	CUFBSIXIFWUXGC-ZIAGYGMSSA-N	426.421	3.341	10	40	IGCB	biogenic
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nnc3n2CCCCC3)cc1	12606081	NBYYKZRCKFCNFQ-FQEVSTJZSA-N	443.617	3.370	10	40	IGCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1	2304288	AUJDRCSKUAOYTQ-JXAWBTAJSA-N	438.915	3.061	10	40	IGCB	
CCOC(=O)c1c(C)sc(-c2c(-c3ccc(F)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O	12413797	YDSWSLBSGRVLSU-UHFFFAOYSA-N	429.429	3.270	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H](CO)Cc1ccccc1	24985008	VNPVKNYCEZFQGL-CQUHBBLWSA-N	446.619	3.449	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	33589605	ULMVMMPYBXOFLN-MDKXCRPYSA-N	446.481	3.458	10	40	IGCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(F)cc1	409108188	SFASHKCVUCSMJB-UYRXBGFRSA-N	441.484	3.337	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2c(F)cccc2Cl)c2ccc3c(c2)CCN3C)CC1	22733672	SPZCCYIAFFZONO-NRFANRHFSA-N	430.955	3.190	10	40	IGCB	
CCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S	26503283	DOFJGKPNXGYWPQ-PJMOXLGBSA-N	428.583	3.398	10	40	IGCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1	5946226	HMANYYUOEDOBGH-UHFFFAOYSA-N	437.496	3.485	10	40	IGCB	
CN1C(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])SC1=S	13939906	RSURAZSOXXIGCI-UVTDQMKNSA-N	436.492	3.194	10	40	IGCB	
CCOc1ccc2nc(NC(=O)CN3CCN(c4ccc(OC)cc4)CC3)sc2c1	37100465	ILCWTGBCCZETEK-UHFFFAOYSA-N	426.542	3.464	10	40	IGCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)NC2=S)cc1	107848529	ZKRJHFRZGAKPBZ-MHWRWJLKSA-N	426.494	3.106	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)C(=O)NC2=S)cc1	408760573	AZRVXWQBIQVLIA-ZROIWOOFSA-N	447.310	3.298	10	40	IGCB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1	409125429	AGBBTPBIDCAJFB-MHWRWJLKSA-N	445.903	3.147	10	40	IGCB	
COc1cc(N2N=C(C)/C(=C/Nc3ccc4c(c3)n(C)c(=O)n4C)C2=O)ccc1Cl	13566768	DEKCHBHRUBJZDM-PTNGSMBKSA-N	425.876	3.258	10	40	IGCB	
Cc1ccc(N2C(=O)CN(c3ccc(OC(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1C	36077569	ZGSCRSIKUAOTKE-FGZHOGPDSA-N	428.554	3.109	10	40	IGCB	
Cc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1	41084362	GKWZYDXZNHWKBU-JJEZRMFNSA-N	434.525	3.003	10	40	IGCB	
Cn1c(=O)c(C2=NNC(=O)/C2=C\Nc2cc(Cl)ccc2Cl)c(O)c2ccccc21	100261022	JXPPXCYFENELFJ-XFXZXTDPSA-N	429.263	3.381	10	40	IGCB	
COc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O	4098683	DUENHQWYLVQDQK-UHFFFAOYSA-N	434.400	3.471	10	40	IGCB	biogenic,in-vitro
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@@H]3c3cccnc3)C2=O)c(C)c1	8691030	PYXQLMXUCZHQES-GRTQGXPSSA-N	433.512	3.205	10	40	IGCB	
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1	8801039	QKBRJUALQCXBSJ-JOCHJYFZSA-N	443.613	3.420	10	40	IGCB	
CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc(N(C)C)cc1	12804991	AMYKDGSRORXONQ-UHFFFAOYSA-N	432.450	3.423	10	40	IGCB	
COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1	13504897	IXVWGLCUAOUDGD-QHCPKHFHSA-N	436.560	3.258	10	40	IGCB	
O=C(COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(F)cc1	35352219	PCUNCGRVKZORNB-ZHZULCJRSA-N	431.423	3.305	10	40	IGCB	
COc1ccc(CNC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1OC	35597217	KNTPXOFSRGFLHY-JOCHJYFZSA-N	438.572	3.332	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	1838611	GLXGWPHVTUZBAE-XNTDXEJSSA-N	432.479	3.304	10	40	IGCB	
COc1ccc2[nH]cc(/C=C3\SC(=S)N(NC(=O)c4cccc(O)c4)C3=O)c2c1	13734670	MLOMRJVUTKYCRA-IUXPMGMMSA-N	425.491	3.428	10	40	IGCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCCOC)nc3ccc(C)cn3c2=O)SC1=S	16805829	YDKFGRRZGISLGR-VQCBNXJZSA-N	446.598	3.451	10	40	IGCB	
CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1	102977507	MGZMNVCGRSQUDH-FTGFMQHASA-N	441.831	3.264	10	40	IGCB	
CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O	223356469	FAXTZGGALSTRFB-QFIPXVFZSA-N	447.601	3.402	10	40	IGCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409407645	NGPIATDZNAEAPL-BOPFTXTBSA-N	432.392	3.252	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	9468969	KHQOAWOJURMBOD-HSZRJFAPSA-N	435.436	3.066	10	40	IGCB	
O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1C[C@@H]1CCCO1	10233264	KCTLDGGGNQAOFL-NFBGKYEXSA-N	441.578	3.452	10	40	IGCB	
C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(N4CCCC4)c(F)c2)C3)C1	12117814	AIEXUTVDTPHYBF-QGZVFWFLSA-N	425.552	3.304	10	40	IGCB	
COc1ccc(N2CCCN(CC3CCN(C(=O)CCn4nccc4C)CC3)CC2)cc1	72338552	HDLZDNVMKVHTAP-UHFFFAOYSA-N	439.604	3.041	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNC[C@]3(C)C[C@@H](O)CC(C)(C)C3)C2=O)c(C)c1	2049286343	PDEHXAAANCOGQN-BXKMTCNYSA-N	427.545	3.245	10	40	IGCB	
COc1ccc(C)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O	10113150	XUKJLGCKJZTAJD-UHFFFAOYSA-N	445.585	3.076	10	40	IGCB	
CC(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCN4Cc4ccccc4O)nn3c2O)C1	100234369	YSOQBTBONGZXIY-FQEVSTJZSA-N	435.528	3.018	10	40	IGCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)nc1	408947381	CHDWSOCVQAFQIC-GIJQJNRQSA-N	444.447	3.193	10	40	IGCB	
CCOC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2OCC)C1=O	722496	SWCWANQNOVDFKK-DTQAZKPQSA-N	447.447	3.410	10	40	IGCB	
CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3c(C)n(-c4ccccc4)[nH]c3=O)C2=O)cc1	8769621	ZCQHCXCDFBJFFX-CPNJWEJPSA-N	432.436	3.379	10	40	IGCB	
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NN1CCCC[C@@H]1c1cccnc1	9371053	BPYSPHOCVLMALG-BQUCVHFLSA-N	439.585	3.131	10	40	IGCB	
CN1C(=O)C(=Cc2c(-c3ccc(Br)cc3)nc3sccn23)C(=O)N(C)C1=O	8782173	MTXRWMOSHVRPDQ-UHFFFAOYSA-N	445.298	3.259	10	40	IGCB	
COc1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cccc(S(=O)(=O)O)c2c1O	25558265	UCFQDOZLTUVRPL-VHEBQXMUSA-N	438.439	3.463	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(OC)cc(OC)c3)SC2=S)cc1	33748429	BONNCSWPUOIIDY-LICLKQGHSA-N	430.507	3.259	10	40	IGCB	
CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O	8870174	RRNKJKKLSUKDKD-ZKBKLERFSA-N	432.567	3.450	10	40	IGCB	
Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1-c1ccc(Br)cc1	13637730	RSDZMCFQJCVOLH-UHFFFAOYSA-N	433.331	3.497	10	40	IGCB	
CN1CCN(C2=NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)CC1	23109642	DCTWDPVDVMVZFI-XSFVSMFZSA-N	438.509	3.392	10	40	IGCB	
CCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S	2422558	AGPIQJKPRSREAK-AQTBWJFISA-N	448.573	3.478	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C(O)=NC2=S)cc1	2594493	WXTNXATVJGBGSQ-ZSAINHDTSA-N	426.450	3.219	10	40	IGCB	
COc1ccc(OC)c(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2SCCC3)c1	2965886	YNTYQROMCMVVLH-OAQYLSRUSA-N	437.488	3.476	10	40	IGCB	
CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	20150603	ZPFBYZXLZPIINH-MSZDEVHKSA-N	449.551	3.305	10	40	IGCB	
CCN1C(=O)/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)NC1=S	409393253	WNAIWQCEIPUYEV-WOJGMQOQSA-N	434.477	3.244	10	40	IGCB	
COc1ccc(N2CCN(CN3C(=O)C4(O[C@H]5CCCC[C@H]5O4)c4ccccc43)CC2)cc1	12420879	VBBNJIKOMYXICX-MAOIWGCQSA-N	449.551	3.332	10	40	IGCB	
O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCCc1ccc(O)c(O)c1	12896557	RFYFYDNZYHEACE-UHFFFAOYSA-N	447.443	3.315	10	40	IGCB	biogenic
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)o1	33581779	QBMFENYMNKZLSK-BOPFTXTBSA-N	427.432	3.207	10	40	IGCB	
O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC(=S)Nc1cccnc1Cl	57313770	IJTVTSXNPSEIFJ-GQCTYLIASA-N	447.904	3.006	10	40	IGCB	
CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	89919342	UIFJSZIGMHLFPS-XMMPIXPASA-N	431.577	3.301	10	40	IGCB	
O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	409391141	HPQAPHYWGJVPMR-XNTDXEJSSA-N	437.795	3.360	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	2454539	GJGMJRRUVUZYCV-NTEUORMPSA-N	434.520	3.382	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2	9128124	ATWSUFOYPCTRRX-UHFFFAOYSA-N	437.496	3.303	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	13550622	QHKWERGKKORRBD-FDIDWWNZSA-N	438.896	3.053	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1	23818273	OWBXOOGENDNSEJ-UHFFFAOYSA-N	447.564	3.122	10	40	IGCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C	223680641	VXFWCWLBYAFHFG-VXKWHMMOSA-N	435.553	3.420	10	40	IGCB	
O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1	409390268	DUHOEWQRUVHADJ-SFQUDFHCSA-N	437.253	3.301	10	40	IGCB	
CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O	13069317	LECRXYKIAYOOHC-UHFFFAOYSA-N	439.512	3.239	10	40	IGCB	
C[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1	225856878	YZEQZVFKMCUUJT-SFHVURJKSA-N	447.576	3.455	10	40	IGCB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	260805435	CYNDPCXMNUWGRE-LJQANCHMSA-N	429.586	3.483	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	14692221	BQUMYYYKBNXVHL-UHFFFAOYSA-N	441.528	3.380	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CSc3nc(C)c(C)n3C[C@H]3CCCO3)CC2)cc1	22131521	GJTJJYMSGXXOIO-OAQYLSRUSA-N	444.601	3.128	10	40	IGCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(OC)c1	409229925	AYSXDVADGSFIMX-JLHYYAGUSA-N	432.885	3.197	10	40	IGCB	
COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C1=O)OCO2	409235577	CIYVYBXAFFULNL-WLRTZDKTSA-N	430.869	3.217	10	40	IGCB	
COc1ccc(N2CCN(CN3C(=O)C4(OCC(C)(C)CO4)c4ccccc43)CC2)cc1	12402441	OHAZCGOGXJFPQW-UHFFFAOYSA-N	437.540	3.047	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	106158118	FCQPUDAGADJSEA-UHFFFAOYSA-N	427.570	3.004	10	40	IGCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	408850692	CMEUCBKRRIUIFM-WFSQQTBHSA-N	438.436	3.268	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(O)cc1	408948755	GIERYTUEYGOTLM-VXLYETTFSA-N	445.431	3.195	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1C(=O)O	10038291	OHFQISFDNRAWOW-GXDHUFHOSA-N	428.828	3.412	10	40	IGCB	
COc1ccc(N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3C(C)C)CC2)cc1	13504325	MAOZIGYZLZLERU-HSZRJFAPSA-N	435.576	3.240	10	40	IGCB	
CCCCOc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O	16639132	IORBVLHDCZRCSW-UHFFFAOYSA-N	446.095	3.140	10	40	IGCB	
C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCCC4)c(F)c2)CC3)C[C@@H](C)O1	72347301	XRQMQFAPGNXVQI-CALCHBBNSA-N	441.551	3.093	10	40	IGCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccccc1Cl	223180342	OQXYDWDZQFDWQS-UHFFFAOYSA-N	435.977	3.018	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3c(-c4ccccc4)noc3C)CC2)cc1	3555702	JIOLZVUDGVMNCD-UHFFFAOYSA-N	435.480	3.164	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)NCCCn1ccnc1	9187768	IGAMEYZRZOSIFX-FNARSPSRSA-N	426.567	3.237	10	40	IGCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O	13546852	OXMHZNOASROHJM-UVTDQMKNSA-N	428.286	3.490	10	40	IGCB	
COc1ccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1OC	25336691	KOQWDIFUAKKUPA-UHFFFAOYSA-N	445.427	3.275	10	40	IGCB	
Cc1ccc(CN2C(=O)/C(=C/N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)SC2=S)cc1	217529159	HWMYISNMJZMJMA-UJPOMEIBSA-N	437.590	3.478	10	40	IGCB	
CCc1ccc(N2C(=O)/C(=C/c3c(OC)cc(OC)cc3OC)C(=O)NC2=S)cc1	409375531	MFHRPLBZRNPVJD-SFQUDFHCSA-N	426.494	3.106	10	40	IGCB	
O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1	9235750	QQYPVICBJWFWEP-OQLLNIDSSA-N	448.909	3.350	10	40	IGCB	
COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(OC)cc3O)n2)cn1	35425469	BIROPNAGKJSGDV-SFHVURJKSA-N	426.473	3.208	10	40	IGCB	biogenic,in-vitro
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)cc1	409101930	XCUWKHZVIBNQSB-XSFVSMFZSA-N	429.432	3.404	10	40	IGCB	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CCCC2)cc1	10188286	MDXQEJBNXBXPRT-HXUWFJFHSA-N	432.927	3.437	10	40	IGCB	
COc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1O	102732449	CNCJVMCKYBVHRF-QZNHQXDQSA-N	430.460	3.448	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)c2C)cc1	22525177	ZEURDQQLJNCRGF-OAHLLOKOSA-N	442.512	3.157	10	40	IGCB	
CCN1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)C1=O	409207290	RIPKGAVYHXJVFC-OQLLNIDSSA-N	429.498	3.041	10	40	IGCB	
COc1ccc(N2CCCN(CC3CCN(C(=O)Cc4csc(C)n4)CC3)CC2)cc1	72338577	GUOKGSHIMKVWMQ-UHFFFAOYSA-N	442.629	3.454	10	40	IGCB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)c1	107787524	GFIKWIYFDLXGRQ-WOJGMQOQSA-N	434.404	3.297	10	40	IGCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)o1	107853780	ICHFWGAHTCHZTK-WQRHYEAKSA-N	434.452	3.270	10	40	IGCB	
CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2237622	ACNWDPBWQYQGJI-YBEGLDIGSA-N	448.426	3.408	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	9348781	RBQCWYGAWXZNIB-CXUHLZMHSA-N	446.481	3.460	10	40	IGCB	
CCC(=O)Oc1ccc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc1OC	33403526	XXJYFRGOXAJHNX-OQLLNIDSSA-N	445.269	3.235	10	40	IGCB	
Cc1cccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1	408876202	NRNAWOAKNRKIHG-UHFFFAOYSA-N	431.311	3.251	10	40	IGCB	
CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12	409129291	GARQDDFZQVDBBL-PMFHANACSA-N	443.594	3.330	10	40	IGCB	
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccccc1	13566411	SMRBMRMJBCDCSH-UHFFFAOYSA-N	426.450	3.477	10	40	IGCB	
COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1	22589160	UUYYEVFHNWLELS-OAQYLSRUSA-N	430.980	3.133	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)S/C(=C\c4cccs4)C3=O)CC2)cc1	23206027	UTAOZEHSHRMUHO-AQTBWJFISA-N	443.550	3.142	10	40	IGCB	
O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc2ccccc2c1	222365206	RGCAOYBSJNTRJU-BHDDXSALSA-N	436.467	3.241	10	40	IGCB	
COc1ccc(OC)c(N2C(=O)/C(=C\c3cn(C(C)=O)c4ccccc34)C(=O)N=C2O)c1	2205576	FBWILCJFDRMGCH-YVLHZVERSA-N	433.420	3.189	10	40	IGCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)C2=O)cc1	6574114	YIYLNPWGEAOCKM-DHDCSXOGSA-N	428.828	3.032	10	40	IGCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)c1	9233929	WSJRGFVSAALOGY-GZTJUZNOSA-N	426.450	3.304	10	40	IGCB	
COc1cc2c(cc1NCC(=O)Nc1ccc(S(N)(=O)=O)cc1)oc1ccccc12	11619425	ACSIGRZKSQXKJU-UHFFFAOYSA-N	425.466	3.293	10	40	IGCB	
COc1ccc(N2CCN([C@H](CNC(=O)COc3ccccc3)c3ccco3)CC2)cc1	56946025	IYNQNILZULYFGL-HSZRJFAPSA-N	435.524	3.347	10	40	IGCB	
C[C@H](Oc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cn1)c1ccccc1	65549086	IKXDSFXESOSDKV-SFHVURJKSA-N	430.508	3.088	10	40	IGCB	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC	96193354	DZLZZXONBRVOIG-UYRXBGFRSA-N	443.525	3.328	10	40	IGCB	
COc1ccc(CN2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1	9310514	MABCNGLNMVWWEY-WOJGMQOQSA-N	425.535	3.287	10	40	IGCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C[C@H]3CCCO3)c2C)cc1	9863250	KJEKRJPVGSPGKO-GOSISDBHSA-N	427.530	3.243	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)NCCc2ccc(O)cc2)C1=O	13576022	XCAMVXYQFUMYFM-QIQQCEGHSA-N	442.562	3.349	10	40	IGCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(C)c(Cl)c3)CC2)c([N+](=O)[O-])c1	14269013	HKEPUGBSLZZNOM-UHFFFAOYSA-N	448.932	3.402	10	40	IGCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1	106693075	YWNUZIRHGBFOFO-MOSHPQCFSA-N	439.537	3.298	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(c2ccccc2)CC1	1262855	QDDZZXNPHIZFOI-LGMDPLHJSA-N	429.592	3.298	10	40	IGCB	
COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(OC)cc1OC)CO3	9422691	MULHKZSIMJEKFX-UHFFFAOYSA-N	425.437	3.191	10	40	IGCB	
CCc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	41252473	QUOBBEUESZRDPE-UHFFFAOYSA-N	446.551	3.220	10	40	IGCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CC(=O)N2CCCCC2)c2ccccc12	1105133	MWZXTBXUHITVBH-ZHZULCJRSA-N	448.523	3.058	10	40	IGCB	
Cc1cc(/C=C/C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1	8729304	GWHMFVDGVYLUSH-TZFKZXSBSA-N	442.581	3.302	10	40	IGCB	
CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O	8870176	RRNKJKKLSUKDKD-YYNCBPGVSA-N	432.567	3.450	10	40	IGCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1O	13688420	CFZVZBQJUGMOPV-BOPFTXTBSA-N	430.507	3.346	10	40	IGCB	
COc1ccc(Cn2nnnc2[C@H](c2ccc(N(C)C)cc2)N2CCC(C(=N)O)CC2)cc1	82061357	HWMIXGQJZONQNT-QFIPXVFZSA-N	449.559	3.133	10	40	IGCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC	408900578	YXQOTMLNZPQRCS-ZROIWOOFSA-N	445.269	3.441	10	40	IGCB	
COC(=O)c1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1	48988462	SIWIVBQXVROSQY-UHFFFAOYSA-N	426.494	3.253	10	40	IGCB	
Cc1c(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cccc1[N+](=O)[O-]	408551275	MTFIULPBVCVCSZ-FLIBITNWSA-N	434.836	3.439	10	40	IGCB	
Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)s1	10647544	HQJHMMBATNRWLY-UHFFFAOYSA-N	432.523	3.151	10	40	IGCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(F)(F)F)c3)CC2)cc1	12420895	KLOBTYJWKQUCOZ-UHFFFAOYSA-N	430.448	3.234	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N=C2O)c(C)n1-c1ccc(I)cc1	8915121	FQEIAADQOJGQDI-UHFFFAOYSA-N	435.221	3.288	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)S/C(=C/c4cccs4)C3=O)CC2)cc1	8991896	UTAOZEHSHRMUHO-QGOAFFKASA-N	443.550	3.142	10	40	IGCB	
Cc1ccc(C)c(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1	10113142	IQKOLOCMEADTNX-UHFFFAOYSA-N	429.586	3.376	10	40	IGCB	
Cc1cc(C)cc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1	13649220	CPUBXUNJKDFWRN-UHFFFAOYSA-N	429.586	3.376	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)cc1	61997023	UNYJANFBGVUIQP-ANRVEWNMSA-N	440.584	3.102	10	40	IGCB	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)C	89621402	XVWHRYFZKUFJRM-FQEVSTJZSA-N	433.593	3.451	10	40	IGCB	
COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)cc1	101025779	GNMSAOWUQQBDTJ-VSKRKVRLSA-N	444.443	3.230	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079183	KXROUNFPNYFLDC-UHFFFAOYSA-N	437.355	3.320	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C(=O)NC2=S)c1	409189033	HMWYNRUIEVIRQA-CRRKTRLDSA-N	433.489	3.427	10	40	IGCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1	1306259	YJDRGHWJKXLTBJ-XSFVSMFZSA-N	438.915	3.061	10	40	IGCB	
CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1	10113148	QZHMQQVNWBMLKJ-UHFFFAOYSA-N	445.585	3.158	10	40	IGCB	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(CCCN3CCOCC3)C1=O)c(C)n2C	13729424	IAMWEXQZWNBUQN-XSFVSMFZSA-N	445.610	3.419	10	40	IGCB	
C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	219692799	ZHHXCNLXBIHXAC-MRXNPFEDSA-N	432.362	3.285	10	40	IGCB	
O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccccc1	4174655	PJUHGQBHTGXSOL-BHIFYINESA-N	437.451	3.377	10	40	IGCB	
CN(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	219695853	BVRFCHRBJWFGEA-UHFFFAOYSA-N	435.977	3.267	10	40	IGCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1cccc(C)c1	9344566	BHEYSVQMMCEXTH-UHFFFAOYSA-N	438.480	3.285	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N([C@@H](C)C(=O)NCCc3ccc(O)cc3)C2=O)c1	13575044	KJTBZBJXANQMCK-QIQQCEGHSA-N	442.562	3.349	10	40	IGCB	
CCc1nnc2c(NCCN3CCN(c4ccc(OC)cc4)CC3)nc3ccccc3n12	16162634	GGBQTLMGRXGSRS-UHFFFAOYSA-N	431.544	3.083	10	40	IGCB	
O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)N=C1O	33456005	KNTZZNIYPGLFNM-AUWJEWJLSA-N	445.771	3.218	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)C(O)=NC2=S)cc1	1197714	HATGPFUWDLBJDC-OQLLNIDSSA-N	428.466	3.393	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCCC3)ccc21	9138313	KJYSYAKBOFMAAZ-QHCPKHFHSA-N	438.547	3.490	10	40	IGCB	
CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	22734819	UOKHJLSAFBWDHJ-RUZDIDTESA-N	436.600	3.186	10	40	IGCB	
CCOc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	35597262	COTOECLHOCQZGZ-HSZRJFAPSA-N	437.588	3.188	10	40	IGCB	
Cc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)s2)o1	40151758	VZEVFMGEZJAWIG-UHFFFAOYSA-N	445.566	3.185	10	40	IGCB	
COc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1O	101064212	CNCJVMCKYBVHRF-XJUOHMSHSA-N	430.460	3.448	10	40	IGCB	
COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c([N+](=O)[O-])cc1OC	9572860	KETLTLGKZBDCOX-FQEVSTJZSA-N	442.516	3.245	10	40	IGCB	
CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O	13013943	XAPZPQYBDZNICQ-UHFFFAOYSA-N	443.475	3.070	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@H]5C[C@@H]43)CC2)cc1	59409258	BTDFXRGYBMACRJ-KJGALXHASA-N	440.584	3.344	10	40	IGCB	biogenic
CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc(N3CCCCC3)cc1)CC2	257214989	COEYEVDNWKLBGX-NRFANRHFSA-N	448.615	3.403	10	40	IGCB	
COc1cc(/C=C2/SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1O	8870245	QEEMUMJJGVILFS-VIZOYTHASA-N	448.438	3.446	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)O)c4ccccc34)C(=O)NC2=S)c(C)c1	9262628	FFHIGMAYHJHQHL-YVLHZVERSA-N	433.489	3.174	10	40	IGCB	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	9862725	BYRLCDMRNIBBOX-UHFFFAOYSA-N	432.590	3.125	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H](CO)Cc1ccccc1	33542106	NIWGXIGJRASDGG-ZKMNFCBKSA-N	432.592	3.059	10	40	IGCB	
O=C(O)C1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1	33584485	WDYSRAIKQYUDNO-VBKFSLOCSA-N	436.530	3.130	10	40	IGCB	
Cc1cc(S(=O)(=O)O)ccc1/N=N\c1cc(S(=O)(=O)O)c2cccc(O)c2c1O	38188769	KDPMZCPWKPCERU-HNENSFHCSA-N	438.439	3.468	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	222586826	GOBVXJLUTATWRP-QGZVFWFLSA-N	433.574	3.012	10	40	IGCB	
CCOc1cccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)c1	225876296	HPSFWGQZMMFDEX-UHFFFAOYSA-N	433.574	3.014	10	40	IGCB	
COc1ccc(N2CCC(O)(CN3CCC[C@@]4(C)[C@@H]3CCCCN4C(C)=O)CC2)cc1	2037845556	BMKDKNZLXJGLON-ZEQRLZLVSA-N	429.605	3.282	10	40	IGCB	
COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(N(C)C)cc2)c1	9290935	LWUQITIZDJOJGJ-OAQYLSRUSA-N	434.500	3.289	10	40	IGCB	
COc1c(F)c(F)cc2c(=O)c(C(=O)NCCc3ccc(O)c(O)c3)cn(C3CC3)c12	9531475	ZABYICSDUDUTGY-UHFFFAOYSA-N	430.407	3.007	10	40	IGCB	
CCOC(=O)c1cccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	109046567	CTGNXPAKDMXMCU-UVTDQMKNSA-N	447.875	3.400	10	40	IGCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C(=O)O	223579131	LEVFJKSSCCJWME-LEWJYISDSA-N	436.537	3.152	10	40	IGCB	
Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1N1CCCCS1(=O)=O	224397160	LQVXHMQJHYEYRC-UHFFFAOYSA-N	427.570	3.455	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1	225727065	SQNXRMOSZMBTRA-UHFFFAOYSA-N	447.601	3.404	10	40	IGCB	
Cc1cc(C(=O)COC(=O)CNC(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1	3345712	CJPGOZTZDSTOIJ-UHFFFAOYSA-N	446.406	3.444	10	40	IGCB	
CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	10962613	QPQIZIQSDCAHIY-UHFFFAOYSA-N	429.586	3.176	10	40	IGCB	
O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2ccccc2c1	12360505	RGCAOYBSJNTRJU-BDTNDASRSA-N	436.467	3.241	10	40	IGCB	
CN(C)c1ccc([C@@H]2N=C3NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1	20101435	DLWSAZSWJRGBFC-HSZRJFAPSA-N	438.539	3.241	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@H](CO)Cc1ccccc1	33539075	BKXBETLCHYVZNX-DYGKOUCMSA-N	444.553	3.137	10	40	IGCB	
C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	219692863	ZHHXCNLXBIHXAC-INIZCTEOSA-N	432.362	3.285	10	40	IGCB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O	409216065	HQUYPWPOTYVZKY-VZWMTCDZSA-N	428.466	3.390	10	40	IGCB	
CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	9355096	GPJYKFCFUWMACU-YBEGLDIGSA-N	432.358	3.243	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C\c2cccs2)SC1=S	9429177	DWZNQEYWKRXMLP-MBBDXHFBSA-N	434.520	3.380	10	40	IGCB	
C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	10113214	IIYSLOMBDOMIKM-KRWDZBQOSA-N	433.549	3.287	10	40	IGCB	
O=C1NC(=O)C(=Cc2ccc(-c3cc(Br)ccc3Br)o2)C(=O)N1	409116603	PTLGLRCTTXVIIR-UHFFFAOYSA-N	440.047	3.221	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)NC1=S	8430325	RIWKIDNYOWDHJH-VBKFSLOCSA-N	448.456	3.485	10	40	IGCB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NN1CCCC[C@@H]1c1cccnc1	9111548	JMHSEWVRMMTIMI-ICFXLVBESA-N	441.491	3.433	10	40	IGCB	
CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	100796721	GPJYKFCFUWMACU-MHWRWJLKSA-N	432.358	3.243	10	40	IGCB	
COc1cccc2ccc(/C=C3\SC(=S)N(CCCN4CCOCC4)C3=O)nc12	102731031	VMHIBNMBDKJHJE-JXAWBTAJSA-N	429.567	3.167	10	40	IGCB	
O=C(O)CCN1C(=O)/C(=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC1=S	1792966	MVYLJOUQPCCUQZ-ISLYRVAYSA-N	442.493	3.419	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@H]34)CC2)cc1	61992793	PRAIGGPCHKMTSE-JVMIVFNJSA-N	440.584	3.343	10	40	IGCB	
COc1ccc(N2CCN([C@@H](c3ccco3)c3sc4nc(C)nn4c3O)CC2)cc1	4035032	ORKFRHVYXOHLKH-SFHVURJKSA-N	425.514	3.318	10	40	IGCB	
C=CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	33423015	ZAZNSDZMHKGSFO-ZROIWOOFSA-N	444.241	3.384	10	40	IGCB	
COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1	408530157	KXZVGDTWVBNFFJ-UYRXBGFRSA-N	435.432	3.137	10	40	IGCB	
CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	408823982	HEWKIQKFOXBOMO-OQLLNIDSSA-N	428.828	3.412	10	40	IGCB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	408990240	WKHFNPKTFNWXLA-MLPAPPSSSA-N	445.815	3.240	10	40	IGCB	
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F	408998329	ITAMLVOAQFQPIH-UHFFFAOYSA-N	434.265	3.430	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCc1ccc(O)c(O)c1	13576242	ZJWYBMBJZCUASF-YVLHZVERSA-N	448.953	3.311	10	40	IGCB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2)C1=O	409241812	YSYQFETVVQKFQH-HMMYKYKNSA-N	434.496	3.217	10	40	IGCB	
COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2Cl)C1=O	409244632	GOLGAQQBFXUMPP-UNOMPAQXSA-N	427.888	3.278	10	40	IGCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccccc4)o3)C(=N)N21	20324700	ZZCWETHBRYIJKK-CXHQGSNTSA-N	446.535	3.193	10	40	IGCB	
CCN1CCN(Cc2c(O)ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc23)CC1	20605039	HQQDLZIYDGKGOC-UHFFFAOYSA-N	432.476	3.410	10	40	IGCB	biogenic
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C	33782953	NRZFYABOQPFJTK-UNOMPAQXSA-N	432.436	3.472	10	40	IGCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(OS(C)(=O)=O)cc4)C(=O)N=C3S2)cc1	41107984	PFXPOOQLDLOIIN-XGMUFTHNSA-N	440.506	3.001	10	40	IGCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)NC2=S)c1	409140326	DPZDZTVCFOIHQD-LDADJPATSA-N	439.512	3.110	10	40	IGCB	
NS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)cc1	3246128	SOQCPGXLYZNGCB-NTEUORMPSA-N	442.490	3.341	10	40	IGCB	
CCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O	9130713	NVMKHCHNLZYNEZ-UHFFFAOYSA-N	444.491	3.031	10	40	IGCB	
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1	9138050	XJCZJYGWJVDVLN-RUZDIDTESA-N	448.611	3.337	10	40	IGCB	
COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(N(C)C)cc2)c1	9290933	LWUQITIZDJOJGJ-NRFANRHFSA-N	434.500	3.289	10	40	IGCB	
COCCCN/C=C1\C(=O)N(c2ccc(Br)cc2Br)N=C1C	100147461	XYEGZOCCWBPGMG-XFXZXTDPSA-N	431.128	3.444	10	40	IGCB	
COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O	409022572	XFRQIIYFRHYTEG-RIYZIHGNSA-N	435.274	3.428	10	40	IGCB	
CN(C)c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1	11990810	OPRNKVGFEOBUFJ-GRDNDAEWSA-N	429.489	3.083	10	40	IGCB	
O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCc1ccc(O)c(O)c1	33590006	OVAIZZZUNKZNOC-PDGQHHTCSA-N	430.457	3.022	10	40	IGCB	
CSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)Nc1ccccc1-2	3207972	GJFLFWITAHBQBW-HNNXBMFYSA-N	428.386	3.286	10	40	IGCB	
CCOC(=O)[C@@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC	33792821	BVCMEPPWJLSQIA-VVBXCHJUSA-N	444.871	3.140	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	409230575	ZNLBCEYGSRHVAD-VXLYETTFSA-N	431.408	3.064	10	40	IGCB	
CN(C[C@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S	28296888	VKVDZUQFFITHON-DYGKOUCMSA-N	442.562	3.176	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)C2=O)c(C)c1	408528770	IELPXKKIAGWOOY-NTEUORMPSA-N	439.384	3.007	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(N(C)C)o3)C(=O)NC2=S)c1	408851926	BSGKCZUFFZTBDN-MDWZMJQESA-N	434.315	3.248	10	40	IGCB	
CSc1nnnn1-c1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	83995688	DGMRRNNEKWQINE-GOSISDBHSA-N	440.529	3.303	10	40	IGCB	
CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)ccc21	260572551	BDRVHDVDBWYMSH-KRWDZBQOSA-N	427.570	3.310	10	40	IGCB	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3c(F)cccc3F)C(C)C)CC2)cc1	13136581	BOWQGHWHTONNFW-NRFANRHFSA-N	431.483	3.077	10	40	IGCB	
COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4C(=O)C3CC3)CC2)cc1	19556552	ZNOVEDPVLNUGRX-VWLOTQADSA-N	435.568	3.240	10	40	IGCB	
CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	20150605	ZPFBYZXLZPIINH-BOCITWAFSA-N	449.551	3.305	10	40	IGCB	
COc1ccc(OC)c(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1	9096914	NGBRMPNBQDIJNJ-UHFFFAOYSA-N	445.427	3.275	10	40	IGCB	
CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)cc1	15015210	YMHBPLYCCGKVIE-MOSHPQCFSA-N	436.537	3.229	10	40	IGCB	
CNc1nc(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)nc2c1CCN(C(C)=O)C2	19710953	NYSAYPWNLFLWBE-UHFFFAOYSA-N	448.615	3.403	10	40	IGCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(O)cc1C(=O)O	33585424	LQSNHDNGDSWSRF-CXUHLZMHSA-N	446.481	3.460	10	40	IGCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c1	41077682	AUJFOCOSONIOLB-QNMDCZIWSA-N	441.538	3.024	10	40	IGCB	
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c2ccccc21	2810679	CUYIRGVJFPUJHZ-DEDYPNTBSA-N	445.475	3.433	10	40	IGCB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1	8691033	JMHSEWVRMMTIMI-LDETYFQJSA-N	441.491	3.433	10	40	IGCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1	16694896	HVZXQGGDSDUAQD-DWKHYPNZSA-N	447.490	3.474	10	40	IGCB	
COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)CC2)cc1	18190186	MBEJJFQLUQXOJU-IBGZPJMESA-N	449.429	3.048	10	40	IGCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccccc2C)C(=O)N=C1O	102599097	ZUPYAIJZYJKEEH-LYDJUCFBSA-N	446.463	3.157	10	40	IGCB	
COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1	408953960	RADZIIJDJCNLNG-CPNJWEJPSA-N	447.447	3.170	10	40	IGCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	409246575	IXAWXQXOBBMSTI-NBVRZTHBSA-N	446.419	3.451	10	40	IGCB	
Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-]	13546472	GYOSOSQLYUADGI-ZSOIEALJSA-N	430.214	3.332	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)c(Cl)c1O	408695142	QNQDIRUMOIDZKP-UXBLZVDNSA-N	443.681	3.221	10	40	IGCB	
COCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S	2246365	FOKSQEWZGXXLJV-PTNGSMBKSA-N	432.571	3.000	10	40	IGCB	
CCOC(=O)c1c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)sc(C)c1-c1cccs1	2648401	KYIRJKQOJDPKIG-UHFFFAOYSA-N	433.511	3.308	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S	9215828	HXYLFWKNQZKYSC-UJFYRASASA-N	428.491	3.319	10	40	IGCB	
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncc(-c3ccccc3)n2C)C1=O	19355902	BWGRIPIVEQSFHF-HSZRJFAPSA-N	449.536	3.068	10	40	IGCB	
COc1ccc(N2CCN([C@@H](CNC(=O)COc3ccccc3)c3ccco3)CC2)cc1	56946023	IYNQNILZULYFGL-QHCPKHFHSA-N	435.524	3.347	10	40	IGCB	
Cc1ccc(Nc2ccc3nc(=O)[nH]c4c3c2C(=O)c2ccccc2-4)c(S(=O)(=O)O)c1	68601232	LPAOTSIURSLBRA-UHFFFAOYSA-N	433.445	3.433	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1	224671000	UUTIHCWMIUHNAR-KRWDZBQOSA-N	433.574	3.012	10	40	IGCB	
COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1O	408758848	SJCPPWFGNFQRGK-LCYFTJDESA-N	431.242	3.138	10	40	IGCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(OC)c1	409145766	QXZVAQRXSIASCZ-LFIBNONCSA-N	426.494	3.161	10	40	IGCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S	2326884	QQEIRSTWWBNNFL-DKXRRRNBSA-N	446.623	3.247	10	40	IGCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1	9311405	FXWDYWRYJZXMGR-JXAWBTAJSA-N	425.510	3.500	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccncc4)c3C)C(=O)NC2=S)cc1	14257291	LIYBQSRRAHJTGC-DEDYPNTBSA-N	432.505	3.329	10	40	IGCB	
COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1Cn1ccnc1	19559500	UQSCFRMJGRWRPE-OFNKIYASSA-N	426.467	3.328	10	40	IGCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	409393661	RXLHLYJVFPKRKL-UNOMPAQXSA-N	431.408	3.064	10	40	IGCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1	8872613	URCDPCFYBRWIMW-PDGQHHTCSA-N	437.448	3.368	10	40	IGCB	
COc1ccc(CN2C(=O)/C(=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)SC2=S)cc1	9311912	XPHHRBHKALUDKF-FOCLMDBBSA-N	427.463	3.327	10	40	IGCB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3O)[C@H]2C(=O)N1c1ccc(F)cc1	13514549	CXIGYYIIAPOMCB-QHAWAJNXSA-N	449.394	3.491	10	40	IGCB	
C[C@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	13575141	GVDRFWICJLERNF-QCIGAMRASA-N	444.553	3.135	10	40	IGCB	
CCc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O	13673466	XHIZHBMEOBXUQZ-UHFFFAOYSA-N	429.586	3.322	10	40	IGCB	
COc1ccc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(OC)c1OC	15229717	LTWMNGSRJYGPJC-COFMHPSRSA-N	428.495	3.441	10	40	IGCB	
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)NC1=S	32193962	ILRCSVKOAVZISC-XNTDXEJSSA-N	431.311	3.285	10	40	IGCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccccc1Cl	59535863	IBMPODLKCVTSFG-UHFFFAOYSA-N	437.304	3.495	10	40	IGCB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	145644756	AADFPGDAPCFCEB-WOIUINJBSA-N	441.509	3.442	10	40	IGCB	
CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O	409209163	GNLPRBVHWQRXMJ-MFOYZWKCSA-N	428.466	3.453	10	40	IGCB	
COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)N2CCCC[C@H]2CCO)C1=O	13575126	RVBIOCKGUAHMDF-STZPCZCHSA-N	448.610	3.440	10	40	IGCB	
Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C	22665923	ANYJFJIDCVLAOD-JOCHJYFZSA-N	431.602	3.030	10	40	IGCB	
Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccccc1	245228242	LDMLEHQHLXAYRS-DFQSSKMNSA-N	434.492	3.160	10	40	IGCB	
COCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)C(=O)N(c2ccccc2)C1=O	409017502	WZIURXXLGRTTAA-WJDWOHSUSA-N	444.871	3.382	10	40	IGCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	409101363	XXJCNLIPXDXUTA-LDADJPATSA-N	435.480	3.279	10	40	IGCB	
Cc1cc(C(=O)COC(=O)c2ccc(NC(N)=O)cc2)c(C)n1-c1ccc2c(c1)OCO2	3408699	RXPZYIQMCXHPOU-UHFFFAOYSA-N	435.436	3.353	10	40	IGCB	
COC(=O)c1ccc(-n2c(C)cc(C3=NN=C(NC[C@H]4CCCO4)SC3)c2C)cc1	9120654	CJDCLJAGDUIMPC-GOSISDBHSA-N	426.542	3.456	10	40	IGCB	
COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1OC	9164959	NMYZVTPYHKBPJB-YVLHZVERSA-N	438.436	3.371	10	40	IGCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)cc1C(=O)O	9429761	SJAODNWOLMTPGC-XNTDXEJSSA-N	432.479	3.304	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OC	409374632	VLQFWBZBZAKQSV-NTUHNPAUSA-N	449.257	3.111	10	40	IGCB	
CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1	2361588	APTIFHAMDODBRD-MOSHPQCFSA-N	436.537	3.229	10	40	IGCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(I)cc2)C1=O	9324241	OHRQJDJENDBYBA-UVTDQMKNSA-N	432.217	3.266	10	40	IGCB	
Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3ccccc3O)CC2)on1	19123240	GCRZENXENHRCGJ-UHFFFAOYSA-N	435.528	3.362	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCCCC3)ccc21	9138402	NLZDHBXIWHJGTI-RUZDIDTESA-N	448.611	3.071	10	40	IGCB	
COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O	9311656	BMRJZERCGPDSJW-ZROIWOOFSA-N	435.274	3.428	10	40	IGCB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(OC)c1OC	13774880	YOIZTXKZYREOPY-BENRWUELSA-N	432.885	3.197	10	40	IGCB	
CCCCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1	408533486	SMAXJWRBOAVJQH-SAPNQHFASA-N	437.452	3.231	10	40	IGCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cccc(OC)c1OC	100423695	AJUATOOKNBPPJA-STZFKDTASA-N	439.468	3.364	10	40	IGCB	
COC(=O)c1ccc(C(=O)OC)c(N/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1	102480564	YHLXFXNPWFMQPP-OQLLNIDSSA-N	432.479	3.167	10	40	IGCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N[C@H](CO)Cc1ccccc1	43730529	IDXQTEBDYSHRRQ-KWPSNMDISA-N	438.574	3.164	10	40	IGCB	
COc1ccc(OC)c(-c2cc3ccc(O)c(CN4CCC[C@@H](C(=O)O)C4)c3oc2=O)c1	94993375	BXRUOTGNUPNFLC-OAHLLOKOSA-N	439.464	3.479	10	40	IGCB	
COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc1c(Cl)cccc1Cl	979666	TUMXSZLYWJPLGR-UHFFFAOYSA-N	437.304	3.495	10	40	IGCB	
CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1OC	223851382	QAYSWADEDCTLRK-QGZVFWFLSA-N	445.585	3.160	10	40	IGCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1cccc(F)c1	408881071	LPROVIVYWUMZGA-UHFFFAOYSA-N	447.260	3.327	10	40	IGCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)cc2OC)C1=O	409245248	PRBQGTJVMFBULU-NBVRZTHBSA-N	435.480	3.361	10	40	IGCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCCN3CCOCC3)C2=O)cc1	13165696	RLQUONAVPJXTPM-NMWGTECJSA-N	434.540	3.032	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1	20109123	ARVBHXNDWZLIRG-UHFFFAOYSA-N	427.570	3.142	10	40	IGCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCCN1CCOCC1	100423245	CFFUPPYCEMIPLI-SILNSSARSA-N	427.574	3.385	10	40	IGCB	
COc1cc(N2N=C(C)/C(=C\Nc3ccc4c(c3)n(C)c(=O)n4C)C2=O)ccc1Cl	105992615	DEKCHBHRUBJZDM-RVDMUPIBSA-N	425.876	3.258	10	40	IGCB	
Cc1ccc(NN/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1C	408534237	PUGQYRADWWFVIU-MHWRWJLKSA-N	443.301	3.458	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)c1	409234951	BGWGCYMVUUAZDT-CPNJWEJPSA-N	431.473	3.315	10	40	IGCB	
CCCCN1C(=O)NC(=O)/C(=C\c2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C1=O	2104452	OXNILVZGXRXCIQ-CPNJWEJPSA-N	449.507	3.062	10	40	IGCB	biogenic
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	9430056	QGPTUDRQPJPJPE-YBEGLDIGSA-N	428.491	3.320	10	40	IGCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OC	208467477	VEBBTPIYMPIWSU-OQLLNIDSSA-N	445.269	3.441	10	40	IGCB	
Cc1cc(=O)oc2c(CN[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)c(O)ccc12	2105754	GQCXRYVIADMJCP-MRXNPFEDSA-N	434.489	3.045	10	40	IGCB	biogenic
Cc1cc(C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)n1-c1ccccn1	22802127	JLTVDIZRTREXLR-UHFFFAOYSA-N	432.524	3.218	10	40	IGCB	
CC1=NN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(=O)[C@@H]1/N=N/c1ccccc1C(=O)O	73369167	FVXHANQYPFMYAF-WGLILOHCSA-N	429.776	3.457	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@]45[C@H]3CC[C@H](C)[C@H]4CC[C@@]3(C)O[C@H]53)CC2)cc1	103545758	BALNINAJAHCEHC-NDQWFQJWSA-N	440.584	3.343	10	40	IGCB	
COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCc1ccc(Cl)c(Cl)c1	408892494	ZYAZKMOCOPSIPW-UHFFFAOYSA-N	437.304	3.495	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc(OC)c1OC	9972483	ZAFBUGDTNJRAKG-CDCQXCROSA-N	425.528	3.413	10	40	IGCB	
Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	24992312	WAJDVZQKNZNEPA-UHFFFAOYSA-N	448.571	3.027	10	40	IGCB	
CSc1nnnn1-c1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	83995683	DGMRRNNEKWQINE-SFHVURJKSA-N	440.529	3.303	10	40	IGCB	
Cc1cc(C(=O)CN2CCC[C@@H]2c2cccn2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1	9847578	ZHHSVNTVHZQTDJ-JOCHJYFZSA-N	440.569	3.100	10	40	IGCB	
COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OCC(N)=O	8430521	ABXBMGVXNPIAOX-LZYBPNLTSA-N	444.285	3.128	10	40	IGCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)C3CCC3)c2C)c1	10720539	JDRHDKJIUFZFPD-UHFFFAOYSA-N	427.453	3.193	10	40	IGCB	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NCC(=O)Nc3cccc(C)c3C)sc2n1	14151956	CSLWTYCZFFSMDO-UHFFFAOYSA-N	440.525	3.024	10	40	IGCB	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCC2)N2CCc3ccccc3C2)cc1	36683763	DYNCZOJCSJEIKF-DEOSSOPVSA-N	434.584	3.027	10	40	IGCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	409099371	QSQMPEWFEBAHDB-NTCAYCPXSA-N	446.290	3.496	10	40	IGCB	
COC(=O)CN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)SC1=S	409211310	IOTGXIVJHFLWIZ-SXGWCWSVSA-N	431.495	3.377	10	40	IGCB	
Cc1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1	408660158	KZMXZNWKUHPLRJ-FKBYEOEOSA-N	446.503	3.039	10	40	IGCB	
O=S(=O)(Nc1cc(Br)c(O)c(Sc2ncn[nH]2)c1)c1ccc(F)cc1	8870889	FXUJDUFDJXYAOX-UHFFFAOYSA-N	445.295	3.364	10	40	IGCB	
C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	9253701	YGKODFJTOCBOEB-LYQMGENXSA-N	446.481	3.458	10	40	IGCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1C(=O)NC(C)C	223851713	PHEHZRZDEXNKRT-UHFFFAOYSA-N	445.585	3.302	10	40	IGCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2	408903744	YFQOZGRNFFOJCQ-LFYBBSHMSA-N	449.644	3.498	10	40	IGCB	
O=C1NC(=S)NC(=O)C1=Cc1c(Oc2nc(Cl)ncc2F)ccc2ccccc12	409067550	YVBYUUDNKGHDNK-UHFFFAOYSA-N	428.832	3.129	10	40	IGCB	
COCCn1cc(C(=O)N2CCCc3ccccc32)c2nn(-c3ccccc3)c(=O)c-2c1	9661581	JIZOKPZMDUNGTJ-UHFFFAOYSA-N	428.492	3.378	10	40	IGCB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3O)[C@H]2C(=O)N1c1ccc(F)cc1	102731411	CXIGYYIIAPOMCB-HKBOAZHASA-N	449.394	3.491	10	40	IGCB	
CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O	408903711	XCLLPAVUNBNNKD-GXDHUFHOSA-N	431.242	3.220	10	40	IGCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C2=O)c1	409186817	IFUWRJPATKXOTK-UDWIEESQSA-N	436.464	3.300	10	40	IGCB	
CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(C)C)NC32C(=O)c3ccccc3C2=O)cc1	20291547	AGMQOTOFXQLJCG-NJDAHSKKSA-N	446.503	3.027	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccc(N(C)C)cc2)CC1	22664980	UDABMIFVAPJKOU-NRFANRHFSA-N	445.951	3.033	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1	2451195	KATICKXDPKTGSN-MHWRWJLKSA-N	428.491	3.233	10	40	IGCB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(C(=O)O)cc1	27905666	RKHSPYBVXMIEJW-YBFXNURJSA-N	440.477	3.469	10	40	IGCB	
Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCC4)C(=O)[C@H]23)c1	105580414	SQCLNFQVIGTGKS-ACRUOGEOSA-N	429.472	3.428	10	40	IGCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(Br)ccc1OC	408796395	YBKDMDANHDFSBX-CCAPLTMGSA-N	436.302	3.309	10	40	IGCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C	408804859	BVKBZVBQUGVRPH-LICLKQGHSA-N	439.424	3.447	10	40	IGCB	
CN(C)c1ccc(/C=C(\C(=O)N2CCN(c3ccccc3)CC2)n2ccccc2=O)cc1	9553855	IVWLQGAKVMOWHW-HIXSDJFHSA-N	428.536	3.261	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3cc4ccccc4cc3OC)CC2)cc1	9634529	LURCMTYVXIJYFR-UHFFFAOYSA-N	434.492	3.363	10	40	IGCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3c(Cl)cccc3Cl)nnc2n1	9637355	YCHABRYCSHCHNM-UHFFFAOYSA-N	441.348	3.421	10	40	IGCB	
Cc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1-c1ccc2c(c1)OCCO2	23907850	OEVXSIDPVALCPU-UHFFFAOYSA-N	432.524	3.265	10	40	IGCB	
O=C1/C(=C/NCCCN2CCOCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1	100567648	AWDHLHKMBHDSLE-HTXNQAPBSA-N	447.564	3.243	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1C	408849747	YIHFFEFFFJFIRK-OVCLIPMQSA-N	444.896	3.252	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1-c1ccc2c(c1)OCO2	9285563	UMZYMJDMMGSPJI-UHFFFAOYSA-N	447.403	3.210	10	40	IGCB	
Cc1cc(O)c(S(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	26786867	IEUPNRHJFAKMBB-UHFFFAOYSA-N	448.478	3.242	10	40	IGCB	
Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)cc1	41077725	RCUUNWQXVULBBH-CXHQGSNTSA-N	446.535	3.360	10	40	IGCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c1	41084369	OTZCNARCZFACQY-RYEIUNSYSA-N	448.552	3.311	10	40	IGCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C(=O)O)cc1	223579516	USTSDYZFNMONKL-NHCUHLMSSA-N	436.537	3.152	10	40	IGCB	
CN(c1cccc(NC(=S)NCCCN2CCCc3ccccc32)c1)S(C)(=O)=O	225745905	VPFVKPWMYFWZSY-UHFFFAOYSA-N	432.615	3.212	10	40	IGCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)NC2=S)c1C	409135577	ZFRSJDQBIYJBPI-SFQUDFHCSA-N	439.512	3.110	10	40	IGCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)C1=O	409243553	SKEVOGFNHQGPRQ-OQLLNIDSSA-N	437.839	3.354	10	40	IGCB	
CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1	408865586	CYMHVTLNACMALB-LICLKQGHSA-N	428.828	3.192	10	40	IGCB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccc(F)cc1	19631466	YABXGIQBAOUTFH-STZFKDTASA-N	440.431	3.106	10	40	IGCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1Cl	108983723	HTWXHSRTXZGQRC-FRKPEAEDSA-N	434.857	3.435	10	40	IGCB	
Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O	409236085	QUEYRZUKICUJRN-MOSHPQCFSA-N	429.480	3.329	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	9430163	TXQVXIARRLKHQT-CHHVJCJISA-N	432.454	3.069	10	40	IGCB	
CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)ccc21	223867173	BDRVHDVDBWYMSH-QGZVFWFLSA-N	427.570	3.310	10	40	IGCB	
CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O	2196089	ASEFJLDBHMEULY-VBKFSLOCSA-N	446.598	3.451	10	40	IGCB	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)cc1	10022416	QGUOZDMDZBLKOT-VWLOTQADSA-N	443.547	3.385	10	40	IGCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c3ccccc3)cc2)CC1	223393783	OOJXYRZVQKDZNH-LJQANCHMSA-N	429.586	3.421	10	40	IGCB	
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)O)c(C(=O)O)c3)cc1)C2=O	3143966	OTEOGKQHYASUCT-UHFFFAOYSA-N	447.355	3.374	10	40	IGCB	
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc2c(c1)OCCO2)C3	9060966	WNVNLGAIEBVNSD-UHFFFAOYSA-N	437.448	3.253	10	40	IGCB	
Cc1cc(C)c(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1	9463308	VCXZUUPTIJZFJZ-JOCHJYFZSA-N	444.597	3.273	10	40	IGCB	
COc1cccc(-c2nn(Cc3ccccc3)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)c1	12814612	PYNZNKXIDASSPJ-UHFFFAOYSA-N	430.464	3.041	10	40	IGCB	
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1	408780426	YEJBZKVGGPFNDY-AQTBWJFISA-N	436.464	3.015	10	40	IGCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1	17099245	GWVGUZWLYJOCRL-UHFFFAOYSA-N	434.905	3.094	10	40	IGCB	
COc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc(Cl)c1OCC(=O)O	33456301	YAFXYFSWFITJGU-MLPAPPSSSA-N	446.799	3.024	10	40	IGCB	
O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCCn1ccnc1	33527001	XNTNGHDBAAPYLO-VBKFSLOCSA-N	434.974	3.334	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)CC2)cc1	61992792	PRAIGGPCHKMTSE-XSWJKVCQSA-N	440.584	3.343	10	40	IGCB	biogenic
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccncc3)c2C)C(=O)NC1=S	8430316	DJWAEJMUSSXTKU-QGOAFFKASA-N	432.505	3.329	10	40	IGCB	
CCCCOC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)ccc1Cl	8874192	DKXQPRSAZALAHM-UHFFFAOYSA-N	432.885	3.471	10	40	IGCB	
CCCn1c(O)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21119780	VVHSWNVEIXJMOI-LBPRGKRZSA-N	436.493	3.288	10	40	IGCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCC3)ccc21	9135602	QQTLLSHDQDMUSS-QFIPXVFZSA-N	442.510	3.239	10	40	IGCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4Oc4ncccc43)CC2)cc1	96118892	YIQASEBWSJJQGO-UHFFFAOYSA-N	444.491	3.192	10	40	IGCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C	223680691	VXFWCWLBYAFHFG-YADHBBJMSA-N	435.553	3.420	10	40	IGCB	
COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21	408778161	CEHCPYGZJXWENZ-WOJGMQOQSA-N	447.516	3.262	10	40	IGCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)c1	409338822	BQBKWYCHMAMMNW-YVLHZVERSA-N	442.518	3.298	10	40	IGCB	
CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1OC	12140504	FJMVLSCPMNQWGU-ZENNRRHLSA-N	439.511	3.003	10	40	IGCB	
CCOC(=O)c1cc(C(=O)c2ccccc2)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)sc12	33436818	TZKZVRDACRNQPK-STZFKDTASA-N	446.528	3.382	10	40	IGCB	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1	58142166	VLFJCQLYKYVAFK-UHFFFAOYSA-N	441.347	3.485	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C/c2ccccc2F)SC1=S	13575987	RJCVPQHVBCEWDD-SYEOYNTFSA-N	446.481	3.458	10	40	IGCB	
COc1cc(/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1O	33406169	RLKYWCSIOPUTBW-ONNFQVAWSA-N	441.640	3.417	10	40	IGCB	
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)O	409192518	YHLROZPAFTXCGR-KBVGCWLLSA-N	430.869	3.023	10	40	IGCB	
CC(=O)N1C[C@H](c2ccc(CN(C)Cc3ccc(N4CCCC4)cc3C)cc2)[C@@H](C(N)=O)C1	19699238	MXBXSUMSLYRDAS-FTJBHMTQSA-N	448.611	3.274	10	40	IGCB	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCCC2)N2CCc3ccccc32)cc1	10188410	SCZPKLGJKUKAEI-XMMPIXPASA-N	434.584	3.422	10	40	IGCB	
O=C1c2ccccc2C(=O)c2c1oc1c3c(ccc21)OCN(CCCN1CCOCC1)C3	21670281	NETPQKVZJCRKIH-UHFFFAOYSA-N	432.476	3.082	10	40	IGCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)N=C1O	102627574	LSCAKHQFRHAKJG-MTGKDYNDSA-N	446.463	3.157	10	40	IGCB	
Cc1ccccc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408655992	FADFJUHZTNFAFU-RZUBCFFCSA-N	446.503	3.039	10	40	IGCB	
CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1	1206851	BFUCBUZNGVOYKQ-WJDWOHSUSA-N	430.327	3.346	10	40	IGCB	
COC(=O)c1ccc2c(=O)[nH]c(/C(Cl)=C/c3ccc(N4CCOCC4)cc3)nc2c1	21191221	RANKBYZUPHGZFA-PDGQHHTCSA-N	425.872	3.283	10	40	IGCB	
COc1ccc(N2CCN(CCCNC(=O)/C=C/c3ccc(OC)c(OC)c3)CC2)cc1	24750401	WCHUUXRCBDQKDH-WUXMJOGZSA-N	439.556	3.054	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Br)cc1O	9323532	BMCSETFDYOVWPL-GHXNOFRVSA-N	447.310	3.303	10	40	IGCB	
CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C	13008609	BKNRDNMTMYWGLG-HXUWFJFHSA-N	426.586	3.149	10	40	IGCB	
COc1ccc(N2CCN(CN3C(=O)C4(O[C@@H]5CCCC[C@H]5O4)c4ccccc43)CC2)cc1	12420877	VBBNJIKOMYXICX-DNQXCXABSA-N	449.551	3.332	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1	13606962	BFBGPABPSVARAL-PXNMLYILSA-N	445.478	3.149	10	40	IGCB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)o1	408692266	IVEZDSKMOIWCIK-LFIBNONCSA-N	425.397	3.268	10	40	IGCB	
CCOC(=O)COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC	409131758	WUFLUAHMEWCXKH-PDGQHHTCSA-N	440.477	3.037	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC	409194139	OHNJMSCUKZGXDP-LFIBNONCSA-N	440.477	3.014	10	40	IGCB	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1	224512287	MCEAURWNHJIXSC-UHFFFAOYSA-N	427.570	3.310	10	40	IGCB	
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O)C(=O)O	409189024	HFHVUGPSTJLUSX-ZRRZQRFHSA-N	430.869	3.023	10	40	IGCB	
CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1	8801022	UDHTWHLZLXZJHE-QHCPKHFHSA-N	429.586	3.193	10	40	IGCB	
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1	224084608	DYSMRFXAWGZWPI-UHFFFAOYSA-N	439.537	3.492	10	40	IGCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1C[C@H]1CCCO1	409193025	AGUWVFOZAQIISY-PCJMVEANSA-N	427.501	3.254	10	40	IGCB	
O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	9335330	AGCZHCHYEZJSHX-UHFFFAOYSA-N	425.400	3.134	10	40	IGCB	
CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1	13669963	OKXTXDZZTVZGFE-SFHVURJKSA-N	445.585	3.156	10	40	IGCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)ccc1O	13688823	SSYYHUMUDIOYIV-YBEGLDIGSA-N	445.478	3.245	10	40	IGCB	
CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1	22418621	OVDMWXCMWQYSMN-QFIPXVFZSA-N	425.577	3.262	10	40	IGCB	
CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCC(c3ccccc3)CC2)C(=O)N(C)C1=O	59488644	PXRIOXMSDBJSTG-UHFFFAOYSA-N	448.479	3.413	10	40	IGCB	
CCCN(Cc1ccccc1O)C(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O	60349135	XWALAVZFRLZECJ-UHFFFAOYSA-N	439.512	3.338	10	40	IGCB	
CCC(CC)NC(=O)c1[nH]nc2c1COC[C@@]21CCN(Cc2ccc(N(C)C)cc2)C1	306124040	BDZLYMUEJSRUFE-DEOSSOPVSA-N	425.577	3.068	10	40	IGCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-]	408740795	IDFKTIKEVXGTPR-MDWZMJQESA-N	432.255	3.189	10	40	IGCB	
O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	6444981	AADFPGDAPCFCEB-CNNODRBYSA-N	441.509	3.442	10	40	IGCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1OC	8819364	VAXOTHKWKQQTMU-YVLHZVERSA-N	430.507	3.249	10	40	IGCB	
CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	408877047	OWHGHWGKSRKEDK-CXUHLZMHSA-N	431.242	3.220	10	40	IGCB	
O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1ccc(O)c(O)c1	33545917	ZJWYBMBJZCUASF-LICLKQGHSA-N	448.953	3.311	10	40	IGCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(ccn3[C@@H](C)C(=O)O)c2)C(=O)NC1=S	409194182	NYYLJQGFWLNPBM-IQGJIOQQSA-N	433.489	3.427	10	40	IGCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1	409410617	YOKJLGGYPPMAJP-ZHZULCJRSA-N	444.443	3.384	10	40	IGCB	
COc1ccc(N2CCC(O)(CN3CCC(O)(COc4ccc(C)cc4)CC3)CC2)cc1	585282357	IFPZLGHSMWQNIM-UHFFFAOYSA-N	440.584	3.241	10	40	IGCB	
O=C1C(=CNCCN2CCCCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	1829437	VOEOMOFEVZBADE-UHFFFAOYSA-N	434.565	3.311	10	40	IGCB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1N1CCN(c2ccc(OC)cc2)CC1	9827968	BUXKLTCEDMYJDU-UHFFFAOYSA-N	448.523	3.053	10	40	IGCB	
CCOc1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1	13562089	ZZUYGWDOJBPZBR-WJDWOHSUSA-N	434.233	3.151	10	40	IGCB	
COc1ccc(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccc(OC)cc34)CC2)cc1	13073217	YOWVWUKQRCIJFD-UHFFFAOYSA-N	442.537	3.069	10	40	IGCB	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1	24654363	VBZKVZSMGROWTL-UHFFFAOYSA-N	427.570	3.489	10	40	IGCB	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	28330435	ZJCCGOPBBBZCMH-GOSISDBHSA-N	433.599	3.065	10	40	IGCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1	409188388	YVMKGDBJTNEQEO-DEDYPNTBSA-N	436.464	3.246	10	40	IGCB	
COc1ccc(N2CCN(C(=O)c3cc(-n4cnnc4)ccc3Br)CC2)cc1	35684177	ZDSOKUAMMIVGBQ-UHFFFAOYSA-N	442.317	3.001	10	40	IGCB	
COc1ccc(N2CCCN(CC3CCN(C(=O)c4oc(C)nc4C)CC3)CC2)cc1	72338566	ZWAQAUOTIMGPHL-UHFFFAOYSA-N	426.561	3.365	10	40	IGCB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	100789922	FUEQWUQEKJEBIC-ZFZZVZNFSA-N	449.496	3.461	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1	223648487	FXHAGQOCUUHBKK-KRWDZBQOSA-N	433.574	3.012	10	40	IGCB	
CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	408812752	PKTNGRUJNMFJDL-LFIBNONCSA-N	428.828	3.192	10	40	IGCB	
O=C(O)CSc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2c1O	1926256	CIERPRDYPKVDJO-UHFFFAOYSA-N	433.463	3.221	10	40	IGCB	
Cc1ccc(COc2ccc(/C=C3\SC(N4CCN(CCO)CC4)=NC3=O)cc2)cc1	9187902	QKQLTDBTZVTAII-JWGURIENSA-N	437.565	3.154	10	40	IGCB	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S	9348101	GVYUNLRDVXDMNJ-HWQJWEFDSA-N	446.525	3.186	10	40	IGCB	
CCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1	9459330	UXTCJMLUBAXRFB-NRFANRHFSA-N	430.570	3.371	10	40	IGCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1	17099249	UJNBDYXIWWIXMD-UHFFFAOYSA-N	434.905	3.094	10	40	IGCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C	223643453	UNSXHPYGDHXYHT-FCHUYYIVSA-N	435.553	3.420	10	40	IGCB	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)C1	260746433	XKJREUHBUVUNMZ-PGRDOPGGSA-N	429.586	3.172	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)c1	409214145	WOOIWZPAAPLWNS-KGENOOAVSA-N	442.475	3.464	10	40	IGCB	
C[C@@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(Cl)cn1	22018044	QJHOGRNBXLVSDX-LLVKDONJSA-N	449.850	3.277	10	40	IGCB	
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21	9259896	AVRBMIYLRDTUCP-XDHOZWIPSA-N	431.448	3.179	10	40	IGCB	
CN(Cc1cc(O)nc2ccccc12)C(=O)CN1C(=O)/C(=C\c2ccco2)SC1=S	9430272	YAMSNCPOQUKVPB-LICLKQGHSA-N	439.518	3.393	10	40	IGCB	
CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1N1CCN(c2ccc(OC)cc2)CC1	9827948	ITZNMQHSTZYZPO-UHFFFAOYSA-N	448.523	3.053	10	40	IGCB	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1	12342311	GNSZLFIBKBBJTB-LDADJPATSA-N	435.436	3.146	10	40	IGCB	
N=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N=C2SC=NN12	33457655	DYBPRBQBEIIFEW-TUQWILOLSA-N	446.897	3.357	10	40	IGCB	
CC1CCN(C(=O)C2=CN(c3ccc4c(c3)OCCO4)c3ccccc3S2(=O)=O)CC1	44169846	LHHPSMCGZOKBRP-UHFFFAOYSA-N	440.521	3.483	10	40	IGCB	
CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(CN5CCOCC5)c4)OCC[C@@]31C2	257209070	BOVLCVCNHULFQV-HPUHJGTRSA-N	428.573	3.243	10	40	IGCB	
COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12	15954537	JBMCOTJEJYLIDL-CPJLOUKISA-N	437.492	3.487	10	40	IGCB	biogenic
CC1=NN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(=O)[C@H]1/N=N\c1ccccc1C(=O)O	104280358	FVXHANQYPFMYAF-ANNUQZOISA-N	429.776	3.457	10	40	IGCB	
COC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2cc(OC)ccc2OC)C(=O)N=C1O	722492	SEYMKYPLEDOIRO-RVDMUPIBSA-N	449.419	3.478	10	40	IGCB	
CCCN1C(=O)/C(=C/c2c(NCCCOCC)nc3c(C)cccn3c2=O)SC1=S	2373322	JSSWQDSHZANKTL-SSZFMOIBSA-N	446.598	3.453	10	40	IGCB	
Nc1c(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)sc2ncccc12	96012704	PMCWPPKBHFUHLE-OAHLLOKOSA-N	439.493	3.170	10	40	IGCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)SC1=S	35107972	SJGADSPPWKRLMC-WDZFZDKYSA-N	432.317	3.142	10	40	IGCB	
CCOc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1	48990216	CGNCSYGBZLUSKP-UHFFFAOYSA-N	448.928	3.364	10	40	IGCB	
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC	409091826	SDJPQPHZPIXDCJ-XGHPXPSOSA-N	437.539	3.017	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	13573714	GWRUANKXLDHVAN-CHHVJCJISA-N	432.454	3.069	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/NC[C@]3(C)C[C@H](O)CC(C)(C)C3)C2=O)c(C)c1	19832587	PDEHXAAANCOGQN-OBMDYODHSA-N	427.545	3.245	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)c1	28464741	LGHVMFUCAOULIU-YBEGLDIGSA-N	428.491	3.233	10	40	IGCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C(=O)O)c1	223579443	APLFKMZLFCUNQG-SFTDATJTSA-N	436.537	3.152	10	40	IGCB	
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1F	9135608	NJZIHPAHEWCXLT-HSZRJFAPSA-N	438.547	3.408	10	40	IGCB	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C1\SC(=S)N(CC(=O)O)C1=O	13262464	GBNCEHYVGSUXEO-MLPAPPSSSA-N	425.894	3.318	10	40	IGCB	
CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1	13750568	HMTBATBOOPSTTI-INOOMSPWSA-N	438.556	3.432	10	40	IGCB	
O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1	101268501	HQWNBACGCVMXBM-UHFFFAOYSA-N	449.510	3.000	10	40	IGCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc12	409194552	PQEHVWCMDZURLO-LDADJPATSA-N	432.457	3.378	10	40	IGCB	
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	408757909	SCTJKEVNTQPJEA-UNOMPAQXSA-N	431.408	3.064	10	40	IGCB	
CCOc1cc(Br)c(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1OC	409211974	OZLWNRVJFCVFGJ-MLPAPPSSSA-N	446.344	3.231	10	40	IGCB	
CN(C)c1nccc2cc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc12	1671749397	HSFOGESBIUQDBB-LJQANCHMSA-N	446.555	3.324	10	40	IGCB	
Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1C	13648631	GFJYVJUIIIMMAH-IBGZPJMESA-N	429.586	3.375	10	40	IGCB	
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(c2ccc(F)cc2)C(=S)N=C1O	33314325	PGNSHBFWHWPBRK-PDGQHHTCSA-N	441.484	3.343	10	40	IGCB	
CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OC	59135203	CINKBQMUJMPAAW-MHWRWJLKSA-N	442.399	3.283	10	40	IGCB	
COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc(N(C)C)cc3)C2)c1	95532118	LMWSTWCRFSUKLP-NRFANRHFSA-N	425.485	3.312	10	40	IGCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)c(C)c1	409391211	HZGBNHZHLKEOJO-LDADJPATSA-N	431.404	3.103	10	40	IGCB	
C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	10113631	SAIKDRZECYWDIF-INIZCTEOSA-N	435.977	3.411	10	40	IGCB	
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O	23673857	GTUAAADDXRIXIT-MHECFPHRSA-N	428.577	3.049	10	40	IGCB	
Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	106693490	LUBAZAQGFFCJSF-ZDLGFXPLSA-N	428.470	3.163	10	40	IGCB	
C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)C1	225682105	OYYLJJHOEDTAPP-HNNXBMFYSA-N	431.583	3.315	10	40	IGCB	
COc1ccc2c3c(n(NC(=O)c4ccc(O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O	604404907	LOZYBNHXVVDBCG-UHFFFAOYSA-N	442.427	3.320	10	40	IGCB	biogenic
COc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S	2424661	KCIKVGULJJHXGI-WJDWOHSUSA-N	430.507	3.259	10	40	IGCB	
O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccccc1[N+](=O)[O-]	8765561	NLLSWOWOCVQKSJ-ZROIWOOFSA-N	425.451	3.017	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3Cl)C(=O)NC2=S)cc1	9260357	IALJDDFXVREYGJ-ZSOIEALJSA-N	432.885	3.197	10	40	IGCB	
C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	13572827	LPARQZPFHNRBKK-FDIDITGRSA-N	430.526	3.480	10	40	IGCB	
O=C(O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	409045578	ZKIDIPWXGZVTLW-KPKJPENVSA-N	435.219	3.123	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)c(OC)c1	409116157	LWMYOCZFZYFMJJ-LFIBNONCSA-N	439.443	3.110	10	40	IGCB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1	8691032	JMHSEWVRMMTIMI-OYQOIYBLSA-N	441.491	3.433	10	40	IGCB	
Cc1cc(/C=C/C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1	8729305	GWHMFVDGVYLUSH-BLTYFHJJSA-N	442.581	3.302	10	40	IGCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCc2cnc[nH]2)cc1	100430489	KDCHJSWUWZJEEC-QNGOZBTKSA-N	446.467	3.184	10	40	IGCB	
COc1ccc(N2CCN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccco3)CC2)cc1	3333963	KHGXZECUMGWXGW-QHCPKHFHSA-N	445.519	3.204	10	40	IGCB	
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H](Cc3ccccc3)C(=O)O)C2=O)cc1	8870075	AXBJPPHDMFIIFB-YPOUMIDOSA-N	440.546	3.008	10	40	IGCB	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	9588704	XUTQDZFTKYOQGB-RUZDIDTESA-N	445.475	3.473	10	40	IGCB	
CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(OC)c1	409171797	APIPAWCHXNZHSF-GHRIWEEISA-N	439.537	3.381	10	40	IGCB	
CN1CCN(c2cc(NCCc3ccccc3)c3c(c2N)C(=O)c2ccccc2C3=O)CC1	9410179	RLDQFDUWXUTUNK-UHFFFAOYSA-N	440.547	3.451	10	40	IGCB	
CCCCOc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1OC	9518811	FJMVLSCPMNQWGU-CDCQXCROSA-N	439.511	3.003	10	40	IGCB	
Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1	10113640	VTGNTAYLJFSMRH-IBGZPJMESA-N	429.586	3.375	10	40	IGCB	
COc1cccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1O	102732457	CNCJVMCKYBVHRF-FUPPJEDESA-N	430.460	3.448	10	40	IGCB	
CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)s1	222892466	IXZVGHOGMSGSJQ-AWEZNQCLSA-N	437.591	3.162	10	40	IGCB	
O=C(c1cc2ccccc2c(CN2CCN(c3ccccc3F)CC2)c1O)N1CCOCC1	23935940	JNIQRTRNQKWWLC-UHFFFAOYSA-N	449.526	3.479	10	40	IGCB	
NC(=O)COc1ccccc1/C=C1\C(=O)N(c2cccc(C(=O)O)c2)N=C1c1ccccc1	101524410	ZKLMCRXCQICAHE-ZHZULCJRSA-N	441.443	3.083	10	40	IGCB	
CCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N(c2ccccc2)C1=S	12364008	VWECGHGFWCMRRQ-SDXDJHTJSA-N	425.510	3.070	10	40	IGCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C2=O)c(C)c1	100781525	ANDUNTDNOOWLFB-PXLXIMEGSA-N	446.551	3.333	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)cc1	224927004	SPVJBWTUPCVKSR-UHFFFAOYSA-N	435.615	3.337	10	40	IGCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br	408802093	CWNIPBNTDNGMOV-NTEUORMPSA-N	431.242	3.220	10	40	IGCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)S1	409080458	DKHQXSZEYIRXHX-MHWRWJLKSA-N	436.898	3.214	10	40	IGCB	
COc1ccc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1	9892559	PFTXIELUGAOIBY-GDNBJRDFSA-N	445.269	3.441	10	40	IGCB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O	408723299	SUDGYVNPJWEXKZ-AWNIVKPZSA-N	447.856	3.097	10	40	IGCB	
COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccc(Cl)c(Cl)c2)c1	408870641	UDQRODSIOXNLOB-UHFFFAOYSA-N	437.304	3.495	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)cc1	408901345	XINWNFVIXXKYFC-NTUHNPAUSA-N	446.213	3.038	10	40	IGCB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)c1	10635690	MNMZZCIBZKQHPS-UHFFFAOYSA-N	431.945	3.466	10	40	IGCB	
COc1ccc(N2CCN(c3ncc4c(=O)n(Cc5ccccc5)ccc4n3)CC2)cc1	39383821	WCQYGFLGEHHCDF-UHFFFAOYSA-N	427.508	3.175	10	40	IGCB	
COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C(=O)N1CCCCC1	223874077	FSBZMHVSBITIHV-UHFFFAOYSA-N	445.585	3.208	10	40	IGCB	
Cc1cc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)c(C)n1-c1ccccc1F	58223577	LLKQPFNKXPPPPK-UHFFFAOYSA-N	437.519	3.249	10	40	IGCB	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(S(N)(=O)=O)cc1	100524781	WYSODDOJKIHKLH-DUPNKOKHSA-N	440.510	3.333	10	40	IGCB	
CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)[C@H]1/N=N\c1ccc(C(=O)O)cc1	104315418	YJSUCHPDXXJAHQ-XZSMOWGESA-N	441.831	3.264	10	40	IGCB	
Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)ccc21	409338260	GULZCKPXLGPMSM-SXGWCWSVSA-N	426.479	3.191	10	40	IGCB	
COc1ccc2c3c(n(CC(=O)Nc4ccccn4)c(=O)c2c1OC)-c1ccccc1C3=O	604404666	QENMGZIKJNMPGQ-UHFFFAOYSA-N	441.443	3.264	10	40	IGCB	biogenic
CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	19021090	KQRLULWKSBDZEJ-UHFFFAOYSA-N	429.511	3.429	10	40	IGCB	
O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1	409242867	PKBAXJRICMXEJT-GZTJUZNOSA-N	437.253	3.301	10	40	IGCB	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2)N2CCc3ccccc32)cc1	10188408	JHBTXZRLUOSJBE-RUZDIDTESA-N	442.563	3.289	10	40	IGCB	
COc1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccco3)CC2)cc1	13505114	PTLYZELTEBJXIE-HSZRJFAPSA-N	448.502	3.374	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccc3c(c2)CCN3C)CC1	22733627	VDFATFVHQQMYOW-QFIPXVFZSA-N	446.517	3.416	10	40	IGCB	
COc1cccc2cc(C(=O)NC[C@@H](c3ccc4c(c3)CCN4C)N3CCOCC3)oc12	38671964	PEILTMDJISAUMU-NRFANRHFSA-N	435.524	3.237	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C2=O)cc1Cl	408985678	XOFRISNGBZXWSG-PXNMLYILSA-N	437.839	3.354	10	40	IGCB	
CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N(CC)C1=S	9258960	BFKDCGJVDLMNDG-UHFFFAOYSA-N	438.505	3.343	10	40	IGCB	
Cc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1Cl	10113563	MXMBSLHOUHXZNF-UHFFFAOYSA-N	435.977	3.331	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC(C)=O)cc3)SC2=S)cc1	33825335	XSQWUBQTSPZFEG-GZTJUZNOSA-N	428.491	3.167	10	40	IGCB	
COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	211968550	QQBLCEYTCBMPJA-LZYBPNLTSA-N	445.478	3.110	10	40	IGCB	
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Br)o1	408740085	DDRNOGQHGMGSCP-YRNVUSSQSA-N	440.047	3.471	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)cc1	409097794	HJLKRXKFUCYXQG-CPNJWEJPSA-N	431.473	3.315	10	40	IGCB	
CCOc1c(Br)cc(/C=C2/SC(=S)N(NC(C)=O)C2=O)cc1OC	1914811	QPOPBGXVXJKMGB-KPKJPENVSA-N	431.333	3.109	10	40	IGCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(NCCCOC(C)C)nc12	2256803	WHSVBOWUKXEOMF-PTNGSMBKSA-N	432.571	3.061	10	40	IGCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCCC3)ccc21	13007978	VHSCLIKKWHVYMN-DEOSSOPVSA-N	438.616	3.329	10	40	IGCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)S1	409080646	NMHWVXMHGRWVDJ-MHWRWJLKSA-N	436.898	3.214	10	40	IGCB	
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)O	409192517	YHLROZPAFTXCGR-HGLKBHAMSA-N	430.869	3.023	10	40	IGCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCCC3)ccc21	9138307	GGVISARLAQGZFV-HSZRJFAPSA-N	438.547	3.490	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccc(N(C)C)cc2)CC1	22664975	BYIBHSVUIBZTLC-NRFANRHFSA-N	445.951	3.033	10	40	IGCB	
CN1CCN([C@@H](CNC(=O)c2cccc(Cl)c2)c2ccc3c(c2)CCCN3C)CC1	22734813	OOXZTIATOPOAHG-QHCPKHFHSA-N	426.992	3.441	10	40	IGCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)n1-c1ccccc1	223163729	OQMWSQPZCPTSEE-RPWUZVMVSA-N	447.608	3.485	10	40	IGCB	
COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)SC1=S	409216200	GEEFLSILIKNCJG-YVLHZVERSA-N	443.502	3.338	10	40	IGCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(C)c3)C(=O)NC2=S)c1	409220756	FJDFSYTZKMYZDU-XMHGGMMESA-N	435.549	3.280	10	40	IGCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S	2326889	QQEIRSTWWBNNFL-FRRXJZEGSA-N	446.623	3.247	10	40	IGCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	33621379	CNQKFDSIHYBMPR-QNGOZBTKSA-N	427.460	3.474	10	40	IGCB	
O=C1NC(=S)S/C1=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	13549732	HOZAUJCRLNXCHL-RZNTYIFUSA-N	431.407	3.211	10	40	IGCB	
Cc1cc(O)c(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc1C	22310801	OMAXPDQDDOZCAW-UHFFFAOYSA-N	439.375	3.278	10	40	IGCB	
COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O	102735894	RKKCCQOYZLVTNZ-LPYTZGJOSA-N	436.486	3.404	10	40	IGCB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)c(OC)cc1Cl	408789846	NUSRNZITRKGOEP-KPKJPENVSA-N	446.843	3.041	10	40	IGCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCC(=O)O)C1=O	409044233	URNLCSLEUHAFGJ-MDWZMJQESA-N	449.246	3.432	10	40	IGCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1C	409141149	ULCHZFUEHVZBNY-FRKPEAEDSA-N	431.426	3.132	10	40	IGCB	
CN(C)c1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1	6160660	OPRNKVGFEOBUFJ-CPUCHLNUSA-N	429.489	3.083	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCC[C@H]3CCO)C2=O)cc1	33542248	AHWZLPBTGLQRRB-KXGFGANYSA-N	434.583	3.050	10	40	IGCB	
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1Cl	9135453	LPSYZXMAWLTTCV-OAQYLSRUSA-N	428.964	3.388	10	40	IGCB	
CN(C)c1ccc(CN(C(=O)c2cc(-c3cccs3)on2)[C@@H]2CCS(=O)(=O)C2)cc1	21524176	FEXPBSCZXBBCOP-QGZVFWFLSA-N	445.566	3.299	10	40	IGCB	
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)NC1=S	408910942	MCQLWXXDHBISCS-OQLLNIDSSA-N	449.301	3.424	10	40	IGCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)SC1=S	409141087	HJGZTDHMBZVZTP-PACYTGELSA-N	429.567	3.158	10	40	IGCB	
CCC(=O)N1CCc2c(nc3cc([C@@H]4CCCCN4Cc4ccccc4O)nn3c2O)C1	100234116	NOZUBCKSGUDUNZ-FQEVSTJZSA-N	435.528	3.162	10	40	IGCB	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)C1	260746427	XKJREUHBUVUNMZ-AVRDEDQJSA-N	429.586	3.172	10	40	IGCB	
O=C1C(=CNCCCn2ccnc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	20023849	MSVKKUWMZDDTBO-UHFFFAOYSA-N	431.521	3.112	10	40	IGCB	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)C	89621399	XVWHRYFZKUFJRM-HXUWFJFHSA-N	433.593	3.451	10	40	IGCB	
Nc1c(Br)cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1Br	2267590	SVGJKHICPSJVLL-UHFFFAOYSA-N	440.047	3.293	10	40	IGCB	
Cc1nn(CC(=O)OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)c(C)c1[N+](=O)[O-]	3408537	ABVUSDXNVVJVNB-UHFFFAOYSA-N	428.420	3.381	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC	408722581	LEZULCTYGNOBIG-AWNIVKPZSA-N	447.856	3.097	10	40	IGCB	
O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N1	15011879	OMLQLOPFHAOOJQ-UHFFFAOYSA-N	435.661	3.431	10	40	IGCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)C(C(=O)OC)=C2C)cc1	409022775	SKKBBWVDYCXTLB-UYRXBGFRSA-N	435.432	3.439	10	40	IGCB	
COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3C)C1=O)OCO2	409103772	YNCMXWQQWVGNRA-WUXMJOGZSA-N	430.869	3.217	10	40	IGCB	
O=S(=O)(Nc1ccc(O)c(Sc2ncn[nH]2)c1)c1ccc(Br)cc1	8859971	JDRHTVIFTLHDPB-UHFFFAOYSA-N	427.305	3.225	10	40	IGCB	
C[C@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(Cl)cn1	22018047	QJHOGRNBXLVSDX-NSHDSACASA-N	449.850	3.277	10	40	IGCB	
CCN1C(=O)C(=Cc2cc(Br)c(Br)o2)C(=O)N(CC)C1=S	9323246	DIEAPKAOABYOKS-UHFFFAOYSA-N	436.125	3.184	10	40	IGCB	
Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1	12438517	CJUDCXPXRABIST-TZZOCQFFSA-N	428.583	3.316	10	40	IGCB	
CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(Br)cc3C)cc2)CC1	32956433	BUCQBNDJTZLHHZ-UHFFFAOYSA-N	446.345	3.444	10	40	IGCB	
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	59139681	UQBIFDBNFAAZDK-UHFFFAOYSA-N	432.889	3.254	10	40	IGCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc1ccc(C)c(C)c1	13896190	PPTOFUIKBILNLS-UHFFFAOYSA-N	440.521	3.074	10	40	IGCB	
COc1cc(N2CCOCC2)ccc1CN1CCC(NC(C)=O)(c2ccc(F)cc2)CC1	19021119	XBURPULIGDQBRE-UHFFFAOYSA-N	441.547	3.298	10	40	IGCB	
CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(Cc1ccc3c(c1)CCCN3C)C2	19708881	SLUSNRQWGAVKJA-NRFANRHFSA-N	448.615	3.185	10	40	IGCB	
C[C@@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	33536510	DMQVJQPVJQMVTQ-SYEOYNTFSA-N	446.481	3.458	10	40	IGCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC#N	35251238	SQEAMUVPBGQEJD-GDNBJRDFSA-N	442.269	3.212	10	40	IGCB	
CCN(CC)c1ccc(CNC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1	223795672	YYUMDLWKBMQZKI-UHFFFAOYSA-N	447.601	3.404	10	40	IGCB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O	409212753	QQXCACQJJQOPTC-LICLKQGHSA-N	428.466	3.392	10	40	IGCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br	409391654	JCXJSWOEDXTHSG-NTEUORMPSA-N	430.258	3.298	10	40	IGCB	
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C	9135456	CQPHYRBBRICKAZ-NRFANRHFSA-N	428.964	3.388	10	40	IGCB	
COc1ccc2c(/C=C3\SC(=S)N(NC(=O)c4ccccc4O)C3=O)c[nH]c2c1	9419224	MCCYEHOBJDIKEJ-IUXPMGMMSA-N	425.491	3.428	10	40	IGCB	
C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	13648446	KCCCZDDQAJBVSW-MRXNPFEDSA-N	435.977	3.411	10	40	IGCB	
Cc1cc(C(=O)CSc2nnc(CN3CCOCC3)n2C)c(C)n1-c1ccc(F)cc1	19799727	GSONSKWASFWBKB-UHFFFAOYSA-N	443.548	3.169	10	40	IGCB	
Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)c2c1	41085252	LNEFSZSSGFHZID-OKIZQULLSA-N	443.554	3.432	10	40	IGCB	
Cc1ccccc1N1C(=O)C(=CNCCCN(C)C)C(=O)N(c2ccccc2C)C1=S	1778144	XBSOESFKRZHJKJ-UHFFFAOYSA-N	436.581	3.393	10	40	IGCB	
COc1cc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)cc(OC)c1OC	1889162	TWGMELWOBSUZKQ-HOXUKUGESA-N	443.568	3.120	10	40	IGCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)NC2=S)cc1	409187436	QHYXKKYYFWEGAQ-XDHOZWIPSA-N	438.505	3.157	10	40	IGCB	
Cc1cc(CN2CCN(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)CC2)no1	22790741	PBPWIQJCYJMQRD-UHFFFAOYSA-N	436.512	3.120	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)/C=C/c3ccc(OC(F)F)cc3)CC2)cc1	23473713	ONZWRILSNZPVAN-NYYWCZLTSA-N	446.450	3.202	10	40	IGCB	
CC[C@H](C)Oc1cc(N(C)C)ccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O	33685227	YBQKSCVVNGZEIV-DZBQEORWSA-N	441.484	3.402	10	40	IGCB	
CN(C)c1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1	4030264	BFTHUBCOHBRKOF-GOSISDBHSA-N	436.961	3.001	10	40	IGCB	
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)n1-c1ccccc1	9510171	PMJAEJOAMUVDLC-UHFFFAOYSA-N	439.537	3.367	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)c1	26771390	XHPSEBDNLZLFMA-YBEGLDIGSA-N	428.491	3.233	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NCCCn3ccnc3)C2=O)c1	54360648	ONLQRRYXGKCWCY-JXAWBTAJSA-N	444.582	3.080	10	40	IGCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(I)cc3)C2=O)c1	408742360	WFDNCFULSTXBCJ-XNTDXEJSSA-N	432.217	3.266	10	40	IGCB	
COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)N3CCOCC3)C2=O)cc1	6924725	NDWFKLJVNUEOJB-OBGWFSINSA-N	434.583	3.316	10	40	IGCB	
O=C(c1cc2ccccc2c(CN2CCN(c3ccc(F)cc3)CC2)c1O)N1CCOCC1	23935532	WAHFFXDRQZMGBD-UHFFFAOYSA-N	449.526	3.479	10	40	IGCB	
COc1ccc(N2CCN(c3ncc4c(=O)n(CCc5ccccc5)ccc4n3)CC2)cc1	39383833	WDYWSYHUNHOZNA-UHFFFAOYSA-N	441.535	3.369	10	40	IGCB	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(N2CCNC(=O)C2)cc1	95350009	PTOYBYWQYSAWIP-UHFFFAOYSA-N	442.878	3.309	10	40	IGCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1	409062122	OCPJVMYJVHFJHI-YBEGLDIGSA-N	425.437	3.295	10	40	IGCB	
COc1ccc2c3c(n(NC(=O)c4ccccc4O)c(=O)c2c1OC)-c1ccccc1C3=O	604404060	AQHKVOIRCPTVGG-UHFFFAOYSA-N	442.427	3.320	10	40	IGCB	biogenic
CCOC(=O)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1	49003767	GQBVUCSZNOURKX-UHFFFAOYSA-N	426.494	3.253	10	40	IGCB	
COc1ccc(N2CCN(CCNC(=O)COc3ccc(Cl)cc3Cl)CC2)cc1	56997214	XTRAYWCKPPFMIB-UHFFFAOYSA-N	438.355	3.319	10	40	IGCB	
C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)S1	222597780	LTZLPBNQENAGII-KPOBHBOGSA-N	425.514	3.416	10	40	IGCB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)c(OC)cc1Cl	408785832	ZTNRLLHBUGWPCH-NTEUORMPSA-N	429.860	3.090	10	40	IGCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1cccc2ccccc12	408882931	PPYYFMJWXRDJEV-UHFFFAOYSA-N	446.484	3.372	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1C	9265219	NYKQPWPQGXWDQH-MOSHPQCFSA-N	429.432	3.459	10	40	IGCB	
O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(F)cc1	409070897	MIIXOEQBKRQVOO-PDGQHHTCSA-N	426.423	3.096	10	40	IGCB	
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(OC)cc1OC)C3	8993304	IHRXYIAWNOFXPZ-UHFFFAOYSA-N	439.464	3.499	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(N4CCOCC4)cc3)C2=O)cc1Cl	104801246	FKFRDFKAPAEBLA-AQTBWJFISA-N	440.887	3.064	10	40	IGCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC	408742023	UJFQWXISVONZKW-JYRVWZFOSA-N	431.242	3.133	10	40	IGCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)NC1=S	409171845	BVBWHUGSCTYYPQ-JQIJEIRASA-N	425.510	3.500	10	40	IGCB	
CCN(CC)c1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1	9932426	RNWILCBHZTYIIB-UHFFFAOYSA-N	437.993	3.465	10	40	IGCB	
CCOc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1OCC	217021248	NPUDAZVWDSGTRE-UHFFFAOYSA-N	425.573	3.485	10	40	IGCB	
CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)c(O)c1	1197774	IDBBSKKQAKOKCL-GZTJUZNOSA-N	430.302	3.462	10	40	IGCB	
COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(N(C)C)cc2)c(OC)c1	9290929	XZWKTUISCHJILV-NRFANRHFSA-N	434.500	3.289	10	40	IGCB	
O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCc1ccc(O)c(O)c1	13573443	OSVJKYSKUFFRPD-YVLHZVERSA-N	448.953	3.311	10	40	IGCB	
COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)CC2)cc1	59409265	BTDFXRGYBMACRJ-MOHLLJBMSA-N	440.584	3.344	10	40	IGCB	biogenic
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	408986006	LHTKPYDLNOZSLD-YVLHZVERSA-N	442.855	3.257	10	40	IGCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)c(Cl)c1	10113604	DWABNFLVQXHKBH-UHFFFAOYSA-N	439.940	3.162	10	40	IGCB	
Cc1ccc(O)c(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1	96936837	ZFJRWOJVKUZCAW-ZDLGFXPLSA-N	442.518	3.061	10	40	IGCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)NC1=S	409391229	ICMILUINRBXTRB-WOJGMQOQSA-N	434.477	3.244	10	40	IGCB	
CCCCOc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1OC	27530397	FJMVLSCPMNQWGU-DGGAMASNSA-N	439.511	3.003	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3Br)OCO4)C2=O)cc1C	59336689	PNAHURSTOWSUCP-NSIKDUERSA-N	443.253	3.461	10	40	IGCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)cc1	409015294	ZIVZGOOSCWEHHB-LDADJPATSA-N	448.456	3.485	10	40	IGCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1	9310349	ODEHBDZZRAQFJU-LDADJPATSA-N	432.388	3.320	10	40	IGCB	
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@H]34)CC2)cc1	61991211	BTDFXRGYBMACRJ-WCQONYCWSA-N	440.584	3.344	10	40	IGCB	biogenic
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1	104090844	YPORQKIALNXQEO-XZSMOWGESA-N	435.469	3.152	10	40	IGCB	
Cc1c(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cccc1C(=O)O	408550889	KNTDPLRVKBPMJU-WQLSENKSSA-N	433.848	3.229	10	40	IGCB	
CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	408842771	BFDQYFIFBGGNCL-NTEUORMPSA-N	432.249	3.321	10	40	IGCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O	409107808	QVFZQVONRMSCKK-RVDMUPIBSA-N	439.443	3.110	10	40	IGCB	
COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O	1018598	GOTDWUGRPDJPEK-LICLKQGHSA-N	428.466	3.090	10	40	IGCB	
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(N2CCCC2)cc1	13668713	ZGAUKVRBUOQSHY-UHFFFAOYSA-N	427.570	3.310	10	40	IGCB	
C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	220315229	LMCSRWJCCQYNPM-QGZVFWFLSA-N	433.549	3.287	10	40	IGCB	
COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)c(OC)c1OC	604419675	SVRWFKZJVCUNPP-UHFFFAOYSA-N	427.453	3.227	10	40	IGCB	
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1Sc1ccc([N+](=O)[O-])cc1	1410524	RIHDQXUKPWFKJU-UHFFFAOYSA-N	430.511	3.167	10	40	IGCB	
CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O	1480743	UFFFNVSSDRWPII-CIKBWMHTSA-N	446.598	3.043	10	40	IGCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(NC(C)=O)cc3)SC2=S)cc1	33623225	IWJIJBKHIZAXMF-BOPFTXTBSA-N	427.507	3.200	10	40	IGCB	
CCC(CC)NC(=O)c1[nH]nc2c1COC[C@]21CCN(Cc2ccc(N(C)C)cc2)C1	306124041	BDZLYMUEJSRUFE-XMMPIXPASA-N	425.577	3.068	10	40	IGCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)cc1C	409097561	MNDGUOLOTOJZKZ-DEDYPNTBSA-N	429.432	3.459	10	40	IGCB	
CCCOc1ccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1	225584702	ROBYYBTXNARUPX-UHFFFAOYSA-N	447.601	3.404	10	40	IGCB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O	409233074	DEROQFWRTWWKGL-CPNJWEJPSA-N	445.479	3.029	10	40	IGCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2)cc1	3555665	OMTOXTQMMBSGDZ-UHFFFAOYSA-N	448.523	3.003	10	40	IGCB	
CCOc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=S)NC4=O)o3)sc2c1	3667054	FNENBYLJTYWIRD-UHFFFAOYSA-N	431.520	3.354	10	40	IGCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC[C@@H]3CCO)C2=O)c1	9348575	WZYWZUVVIRNXBN-JFPYRBRCSA-N	448.610	3.440	10	40	IGCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1	12523604	RGOAYMSKQFXUTR-UHFFFAOYSA-N	434.290	3.466	10	40	IGCB	
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(Cc2cccs2)C(=O)N=C1O	33314283	VUJJROIHZYNHNT-BOPFTXTBSA-N	427.482	3.096	10	40	IGCB	
COc1cc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)c(OC)c(O)c1O	66087928	WKJHAFKBKCPAKZ-GFCCVEGCSA-N	442.399	3.217	10	40	IGCB	
CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1	260843152	OEXWLSBGCFVXJG-KBPBESRZSA-N	437.591	3.162	10	40	IGCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1F	408917469	VBTBTNIONWVWBH-NTUHNPAUSA-N	434.876	3.323	10	40	IGCB